CID 764152

325807-37-2

Structural Information

Molecular Formula
C15H10N2O3S2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C15H10N2O3S2/c18-13(9-4-1-2-5-10(9)14(19)20)17-15-16-11(8-22-15)12-6-3-7-21-12/h1-8H,(H,19,20)(H,16,17,18)
InChIKey
OHMMCOAMMMUDIC-UHFFFAOYSA-N
Compound name
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.01328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02056 174.0
[M+Na]+ 353.00250 183.7
[M-H]- 329.00600 182.8
[M+NH4]+ 348.04710 190.0
[M+K]+ 368.97644 178.1
[M+H-H2O]+ 313.01054 167.9
[M+HCOO]- 375.01148 189.4
[M+CH3COO]- 389.02713 185.6
[M+Na-2H]- 350.98795 172.4
[M]+ 330.01273 178.2
[M]- 330.01383 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.