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

6
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

literature stripe

Patent stripe

patents stripe