CID 6478087

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

Structural Information

Molecular Formula
C18H16N2O4S3
SMILES
CC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H16N2O4S3/c1-12-10-13(8-9-15(12)24-2)11-16-17(21)20(18(25)26-16)19-27(22,23)14-6-4-3-5-7-14/h3-11,19H,1-2H3/b16-11+
InChIKey
KLDODEAHERGLMM-LFIBNONCSA-N
Compound name
N-[(5E)-5-[(4-methoxy-3-methylphenyl)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

420.02722 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.03450 197.7
[M+Na]+ 443.01644 206.4
[M-H]- 419.01994 205.0
[M+NH4]+ 438.06104 208.7
[M+K]+ 458.99038 197.2
[M+H-H2O]+ 403.02448 191.0
[M+HCOO]- 465.02542 203.8
[M+CH3COO]- 479.04107 220.6
[M+Na-2H]- 441.00189 196.3
[M]+ 420.02667 199.6
[M]- 420.02777 199.6
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.