CID 380743

Nsc666450

Structural Information

Molecular Formula
C16H14N2O5S2
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C16H14N2O5S2/c19-14-10-24-15(11-5-2-1-3-6-11)18(14)17-25(22,23)13-8-4-7-12(9-13)16(20)21/h1-9,15,17H,10H2,(H,20,21)
InChIKey
IWTUOIQXBAXIDN-UHFFFAOYSA-N
Compound name
3-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.03442 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04170 184.4
[M+Na]+ 401.02364 191.1
[M-H]- 377.02714 191.3
[M+NH4]+ 396.06824 195.8
[M+K]+ 416.99758 185.3
[M+H-H2O]+ 361.03168 177.5
[M+HCOO]- 423.03262 194.5
[M+CH3COO]- 437.04827 210.1
[M+Na-2H]- 399.00909 184.6
[M]+ 378.03387 185.3
[M]- 378.03497 185.3
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.