Name | Value |
---|---|
InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) | |
ZKLPARSLTMPFCP-UHFFFAOYSA-N | |
C21H25ClN2O3 | |
388.15537034 | |
O=C(O)COCCN1CCN(CC1)C(C=2C=CC=CC2)C3=CC=C(Cl)C=C3 |
External Identifier | Value |
---|---|
83881-51-0 | |
3561 | |
D07662 | |
2678 | |
2577 |
Name | Value |
---|---|
LU053552 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
388.1554 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
16.306 min | |
0.1% formic acid | |
methanol | |
6665072.595703 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.758692021036602 | |
0.3294957582002221 | |
387.1481 | |
[M-H]- | |
0.014619728210863735 ppm | |
5.659999999352294E-6 Da |