CID 380745

Nsc666452

Structural Information

Molecular Formula
C16H13ClN2O5S2
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C16H13ClN2O5S2/c17-13-7-2-1-6-12(13)15-19(14(20)9-25-15)18-26(23,24)11-5-3-4-10(8-11)16(21)22/h1-8,15,18H,9H2,(H,21,22)
InChIKey
QSWJGZBNYAJQNF-UHFFFAOYSA-N
Compound name
3-[[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.99545 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00273 190.0
[M+Na]+ 434.98467 197.9
[M-H]- 410.98817 197.5
[M+NH4]+ 430.02927 201.2
[M+K]+ 450.95861 191.2
[M+H-H2O]+ 394.99271 184.2
[M+HCOO]- 456.99365 195.6
[M+CH3COO]- 471.00930 214.9
[M+Na-2H]- 432.97012 189.3
[M]+ 411.99490 193.5
[M]- 411.99600 193.5
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.