99541-67-0 (C26H24N2O6S)

Structural Information

Molecular Formula

SMILES

CC1(N(C(=O)/C(=C/C2=CC=CC=C2O)/S1)NC(=O)C3=CC=CC=C3O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C26H24N2O6S/c1-26(17-13-18(33-2)15-19(14-17)34-3)28(27-24(31)20-9-5-7-11-22(20)30)25(32)23(35-26)12-16-8-4-6-10-21(16)29/h4-15,29-30H,1-3H3,(H,27,31)/b23-12-

InChIKey

DJZPWPCEUWEIMX-FMCGGJTJSA-N

Compound name

N-[(5Z)-2-(3,5-dimethoxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

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]+	493.142776	215.5
[M+Na]+	515.124718	221.9
[M-H]-	491.128224	224.9
[M+NH4]+	510.169323	223.5
[M+K]+	531.098658	216.4
[M+H-H2O]+	475.132760	206.6
[M+HCOO]-	537.133701	228.7
[M+CH3COO]-	551.149351	235.4
[M+Na-2H]-	513.110166	212.3
[M]+	492.13495142	219.0
[M]-	492.13604858	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.142776

215.5

[M+Na]+

515.124718

221.9

[M-H]-

491.128224

224.9

[M+NH4]+

510.169323

223.5

[M+K]+

531.098658

216.4

[M+H-H2O]+

475.132760

206.6

[M+HCOO]-

537.133701

228.7

[M+CH3COO]-

551.149351

235.4

[M+Na-2H]-

513.110166

212.3

[M]+

492.13495142

219.0

[M]-

492.13604858

219.0

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

99541-67-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe