CID 380744

Nsc666451

Structural Information

Molecular Formula
C16H15N3O5S2
SMILES
C1C(=O)N(C(S1)C2=CC=C(C=C2)N)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C16H15N3O5S2/c17-12-6-4-10(5-7-12)15-19(14(20)9-25-15)18-26(23,24)13-3-1-2-11(8-13)16(21)22/h1-8,15,18H,9,17H2,(H,21,22)
InChIKey
BTMWZWARGYILJN-UHFFFAOYSA-N
Compound name
3-[[2-(4-aminophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.04532 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.05260 186.9
[M+Na]+ 416.03454 193.2
[M-H]- 392.03804 193.2
[M+NH4]+ 411.07914 197.1
[M+K]+ 432.00848 187.0
[M+H-H2O]+ 376.04258 179.7
[M+HCOO]- 438.04352 197.0
[M+CH3COO]- 452.05917 216.3
[M+Na-2H]- 414.01999 186.7
[M]+ 393.04477 186.5
[M]- 393.04587 186.5
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.