Name | Value |
---|---|
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 | |
JGSARLDLIJGVTE-MBNYWOFBSA-N | |
C16H18N2O4S | |
334.098728056 | |
O=C(O)C1N2C(=O)C(N=C(O)CC=3C=CC=CC3)C2SC1(C)C |
Name | Value |
---|---|
1.05 | |
20 | |
C16H18N2O4S | |
Centroid | |
Isabel Meister, Romanas Chaleckis | |
Agilent 6550 iFunnel | |
LC-ESI-QTOF | |
CC-BY | |
MS2 | |
ESI | |
DDA | |
Merck SeQuant ZIC pHILIC Guard column (2.1 mm x 20 mm, 5 µm particle size) with Merck SeQuant ZIC pHILIC (2.1 x 100 mm, 5 µm particle size, 100 Å) | |
12/88 at 0 min, 40/60 at 8.5 min, 75/25 at 8.7-11.2 min; 12/88 at 11.5-22 min | |
0.28ml/min | |
5 mM ammonium acetate in water with 0.04% NH4OH (pH 9.3) | |
acetonitrile | |
NEG_2020-11-24_V01B_RCH_LC06_tDDA_ChemSTD_219_CPD_Meister2020_OPEN.msp | |
negative | |
0.7673412514410523 | |
0.42826130662038386 | |
333.091461181641 | |
[M-H]- | |
0.02739680252868699 ppm | |
9.125640985985228E-6 Da |