PubChemLite - 624724-63-6 (C24H22FN3O3S2)

Structural Information

Molecular Formula

SMILES

COCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C24H22FN3O3S2/c1-30-12-6-11-27-23(29)21(33-24(27)32)14-17-15-28(18-7-4-3-5-8-18)26-22(17)16-9-10-20(31-2)19(25)13-16/h3-5,7-10,13-15H,6,11-12H2,1-2H3/b21-14-

InChIKey

JLPMXBOLDRRSPN-STZFKDTASA-N

Compound name

(5Z)-5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-methoxypropyl)-2-sulfanylidene-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]+	484.11595	213.7
[M+Na]+	506.09789	224.1
[M-H]-	482.10139	222.4
[M+NH4]+	501.14249	222.5
[M+K]+	522.07183	215.5
[M+H-H2O]+	466.10593	204.9
[M+HCOO]-	528.10687	222.9
[M+CH3COO]-	542.12252	222.0
[M+Na-2H]-	504.08334	204.7
[M]+	483.10812	219.1
[M]-	483.10922	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.11595

213.7

[M+Na]+

506.09789

224.1

[M-H]-

482.10139

222.4

[M+NH4]+

501.14249

222.5

[M+K]+

522.07183

215.5

[M+H-H2O]+

466.10593

204.9

[M+HCOO]-

528.10687

222.9

[M+CH3COO]-

542.12252

222.0

[M+Na-2H]-

504.08334

204.7

[M]+

483.10812

219.1

[M]-

483.10922

219.1

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

624724-63-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe