CID 6478103

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

Structural Information

Molecular Formula
C14H12N4O3S3
SMILES
CN1C=CN=C1/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4O3S3/c1-17-8-7-15-12(17)9-11-13(19)18(14(22)23-11)16-24(20,21)10-5-3-2-4-6-10/h2-9,16H,1H3/b11-9+
InChIKey
XLWLTKUEONEOPO-PKNBQFBNSA-N
Compound name
N-[(5E)-5-[(1-methylimidazol-2-yl)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

380.00714 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01442 188.7
[M+Na]+ 402.99636 199.8
[M-H]- 378.99986 195.0
[M+NH4]+ 398.04096 201.1
[M+K]+ 418.97030 191.6
[M+H-H2O]+ 363.00440 183.3
[M+HCOO]- 425.00534 195.0
[M+CH3COO]- 439.02099 211.3
[M+Na-2H]- 400.98181 185.9
[M]+ 380.00659 190.0
[M]- 380.00769 190.0
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.