5-{4-[(4-chlorobenzyl)oxy]benzylidene}-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one (C23H17ClN2O3S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=NC4=CC=C(C=C4)O)S3)Cl

InChI

InChI=1S/C23H17ClN2O3S/c24-17-5-1-16(2-6-17)14-29-20-11-3-15(4-12-20)13-21-22(28)26-23(30-21)25-18-7-9-19(27)10-8-18/h1-13,27H,14H2,(H,25,26,28)/b21-13-

InChIKey

RTEVGFMQBZEBSQ-BKUYFWCQSA-N

Compound name

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one

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]+	437.072126	203.2
[M+Na]+	459.054068	211.3
[M-H]-	435.057574	213.6
[M+NH4]+	454.098673	213.3
[M+K]+	475.028008	202.0
[M+H-H2O]+	419.062110	194.3
[M+HCOO]-	481.063051	215.1
[M+CH3COO]-	495.078701	212.0
[M+Na-2H]-	457.039516	200.7
[M]+	436.06430142	204.9
[M]-	436.06539858	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.072126

203.2

[M+Na]+

459.054068

211.3

[M-H]-

435.057574

213.6

[M+NH4]+

454.098673

213.3

[M+K]+

475.028008

202.0

[M+H-H2O]+

419.062110

194.3

[M+HCOO]-

481.063051

215.1

[M+CH3COO]-

495.078701

212.0

[M+Na-2H]-

457.039516

200.7

[M]+

436.06430142

204.9

[M]-

436.06539858

204.9

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

5-{4-[(4-chlorobenzyl)oxy]benzylidene}-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe