CID 677066

[2-(benzoylamino)-1,3-thiazol-4-yl]acetic acid

Structural Information

Molecular Formula
C12H10N2O3S
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C12H10N2O3S/c15-10(16)6-9-7-18-12(13-9)14-11(17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)(H,13,14,17)
InChIKey
YUASLJXAXQANLW-UHFFFAOYSA-N
Compound name
2-(2-benzamido-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.0412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04848 157.0
[M+Na]+ 285.03042 164.1
[M-H]- 261.03392 161.6
[M+NH4]+ 280.07502 173.3
[M+K]+ 301.00436 160.4
[M+H-H2O]+ 245.03846 149.8
[M+HCOO]- 307.03940 175.0
[M+CH3COO]- 321.05505 191.4
[M+Na-2H]- 283.01587 157.9
[M]+ 262.04065 158.4
[M]- 262.04175 158.4
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.