CID 10126129

Schembl5195674

Structural Information

Molecular Formula
C17H11ClN2O3S
SMILES
C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClN2O3S/c18-12-8-6-10(7-9-12)15(21)19-14-13(17(22)23)24-16(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,21)(H,22,23)
InChIKey
ULMBEMZRULRHCA-UHFFFAOYSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.01788 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02516 179.3
[M+Na]+ 381.00710 188.0
[M-H]- 357.01060 187.6
[M+NH4]+ 376.05170 192.7
[M+K]+ 396.98104 181.4
[M+H-H2O]+ 341.01514 172.1
[M+HCOO]- 403.01608 192.6
[M+CH3COO]- 417.03173 190.1
[M+Na-2H]- 378.99255 178.7
[M]+ 358.01733 183.2
[M]- 358.01843 183.2
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

patents stripe