Name | Value |
---|---|
InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | |
VGKDLMBJGBXTGI-SJCJKPOMSA-N | |
C17H17Cl2N | |
305.073804904 | |
ClC1=CC=C(C=C1Cl)C2C=3C=CC=CC3C(NC)CC2 |
External Identifier | Value |
---|---|
79559-97-0 | |
9123 | |
C07246 | |
68617 | |
61881 |
Name | Value |
---|---|
AU150006 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
305.0738049 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
Ramp 21.7-32.6 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 | |
8.741 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 | |
1.9089096431084187 | |
0.6604374118635419 | |
306.0811 | |
[M+H]+ | |
2.204984234548126 ppm | |
-6.749039999931483E-4 Da |