CID 380748

Nsc666455

Structural Information

Molecular Formula
C20H16N2O6S2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O
InChI
InChI=1S/C20H16N2O6S2/c23-16-9-8-12-4-1-2-7-15(12)18(16)19-22(17(24)11-29-19)21-30(27,28)14-6-3-5-13(10-14)20(25)26/h1-10,19,21,23H,11H2,(H,25,26)
InChIKey
IGYZXJCGDWQACZ-UHFFFAOYSA-N
Compound name
3-[[2-(2-hydroxynaphthalen-1-yl)-4-oxo-1,3-thiazolidin-3-yl]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.04498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.05226 198.0
[M+Na]+ 467.03420 204.7
[M-H]- 443.03770 204.3
[M+NH4]+ 462.07880 207.1
[M+K]+ 483.00814 198.6
[M+H-H2O]+ 427.04224 191.7
[M+HCOO]- 489.04318 205.3
[M+CH3COO]- 503.05883 222.7
[M+Na-2H]- 465.01965 199.5
[M]+ 444.04443 200.0
[M]- 444.04553 200.0
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.