CID 6478115

5-[(4-fluoro-3-methoxyphenyl)methylene]-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H13FN2O4S3
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3)F
InChI
InChI=1S/C17H13FN2O4S3/c1-24-14-9-11(7-8-13(14)18)10-15-16(21)20(17(25)26-15)19-27(22,23)12-5-3-2-4-6-12/h2-10,19H,1H3/b15-10+
InChIKey
LXMCHGKBDIHMMF-XNTDXEJSSA-N
Compound name
N-[(5E)-5-[(4-fluoro-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.00214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.00942 195.6
[M+Na]+ 446.99136 204.7
[M-H]- 422.99486 201.6
[M+NH4]+ 442.03596 206.3
[M+K]+ 462.96530 195.2
[M+H-H2O]+ 406.99940 188.1
[M+HCOO]- 469.00034 201.0
[M+CH3COO]- 483.01599 220.3
[M+Na-2H]- 444.97681 194.1
[M]+ 424.00159 196.3
[M]- 424.00269 196.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.