CID 6478123

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

Structural Information

Molecular Formula
C17H14N2O3S3
SMILES
CC1=CC(=CC=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3S3/c1-12-6-5-7-13(10-12)11-15-16(20)19(17(23)24-15)18-25(21,22)14-8-3-2-4-9-14/h2-11,18H,1H3/b15-11+
InChIKey
SCAMZZLGFBVBKM-RVDMUPIBSA-N
Compound name
N-[(5E)-5-[(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

390.01666 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.02394 190.9
[M+Na]+ 413.00588 199.9
[M-H]- 389.00938 198.2
[M+NH4]+ 408.05048 203.0
[M+K]+ 428.97982 190.3
[M+H-H2O]+ 373.01392 184.3
[M+HCOO]- 435.01486 197.2
[M+CH3COO]- 449.03051 214.5
[M+Na-2H]- 410.99133 189.8
[M]+ 390.01611 190.8
[M]- 390.01721 190.8
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.