Name | Value |
---|---|
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) | |
GSDSWSVVBLHKDQ-UHFFFAOYSA-N | |
C18H20FN3O4 | |
361.14378434 | |
O=C(O)C1=CN2C3=C(OCC2C)C(=C(F)C=C3C1=O)N4CCN(C)CC4 |
External Identifier | Value |
---|---|
82419-36-1 | |
7731 | |
C07321 | |
4583 | |
4422 |
Name | Value |
---|---|
Bruker maXis Impact | |
AU103302 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
361.1437843 | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
20 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
4.163 min | |
90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate | |
methanol with 0.01% formic acid and 5mM ammonium formate | |
identity on assigned fragments and MS1 | |
RMassBank 2.10.1 | |
positive | |
1.4090559639050741 | |
0.5876219782779296 | |
362.1511 | |
[M+H]+ | |
1.8068148903582246 ppm | |
-6.543400000396105E-4 Da |