PubChemLite - 462626-66-0 (C20H16N2O3S2)

Structural Information

Molecular Formula

SMILES

C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H16N2O3S2/c1-13(11-14-5-3-2-4-6-14)12-17-19(25)22(20(26)27-17)21-18(24)15-7-9-16(23)10-8-15/h2-12,23H,1H3,(H,21,24)/b13-11+,17-12-

InChIKey

FCMXIGIBNGBWOZ-YMGXUNRSSA-N

Compound name

4-hydroxy-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	397.06752	192.7
[M+Na]+	419.04946	199.2
[M-H]-	395.05296	199.4
[M+NH4]+	414.09406	203.9
[M+K]+	435.02340	190.7
[M+H-H2O]+	379.05750	185.5
[M+HCOO]-	441.05844	201.7
[M+CH3COO]-	455.07409	216.3
[M+Na-2H]-	417.03491	187.8
[M]+	396.05969	191.8
[M]-	396.06079	191.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.06752

192.7

[M+Na]+

419.04946

199.2

[M-H]-

395.05296

199.4

[M+NH4]+

414.09406

203.9

[M+K]+

435.02340

190.7

[M+H-H2O]+

379.05750

185.5

[M+HCOO]-

441.05844

201.7

[M+CH3COO]-

455.07409

216.3

[M+Na-2H]-

417.03491

187.8

[M]+

396.05969

191.8

[M]-

396.06079

191.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

462626-66-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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