Name | Value |
---|---|
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 | |
PHLBKPHSAVXXEF-UHFFFAOYSA-N | |
C19H22ClN5O | |
371.151288004 | |
O=C1N2C=CC=CC2=NN1CCCN3CCN(C=4C=CC=C(Cl)C4)CC3 |
External Identifier | Value |
---|---|
25332-39-2 | |
9654 | |
C07156 | |
5533 | |
5332 |
Name | Value |
---|---|
2018.12.19 | |
AU227103 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2018 Department of Chemistry, University of Athens | |
371.151288 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 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 | |
5.998 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 2.10.0 | |
positive | |
1.4398529964256193 | |
0.625320211099509 | |
372.1586 | |
[M+H]+ | |
1.7680741490367566 ppm | |
-6.580040000017107E-4 Da |