CID 3006688

N-(4-oxo-2-thioxo-thiazolidin-5-yl)-4-pyrimidin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C13H10N4O3S3
SMILES
C1=CN=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)NC3C(=O)NC(=S)S3
InChI
InChI=1S/C13H10N4O3S3/c18-11-12(22-13(21)16-11)17-23(19,20)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h1-7,12,17H,(H,16,18,21)
InChIKey
UKBBZCYTQNFVMC-UHFFFAOYSA-N
Compound name
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-4-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.99152 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99880 180.1
[M+Na]+ 388.98074 189.7
[M-H]- 364.98424 184.0
[M+NH4]+ 384.02534 189.9
[M+K]+ 404.95468 180.1
[M+H-H2O]+ 348.98878 173.7
[M+HCOO]- 410.98972 184.1
[M+CH3COO]- 425.00537 188.4
[M+Na-2H]- 386.96619 180.9
[M]+ 365.99097 178.2
[M]- 365.99207 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.