Name | Value |
---|---|
7177-50-6, 147-52-4 (free base) | |
C21H23N2NaO6S | |
454.1174517360001 | |
O=C(O[Na])C1N2C(=O)C(NC(=O)C3=C(OCC)C=CC=4C=CC=CC43)C2SC1(C)C.O | |
InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16-,19-;;/m1../s1 | |
OCXSDHJRMYFTMA-DPPQTHCYSA-M |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
436.107 | |
1 | |
Plate10_21_40_GC2_01_15744.mzXML | |
MS2 | |
GNPS-SELLECKCHEM-FDA-PART2 | |
negarg, Garg_Neha, Dorrestein | |
positive | |
3.6046936064625643 | |
0.6464717557103525 | |
437.114 | |
[M+H]+ | |
41205.31883215844 ppm | |
-18.011421736000102 Da |