CID 206367

49779-96-6

Structural Information

Molecular Formula
C13H11ClN2O3S
SMILES
CC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O3S/c1-7(17)15-13-16-12(10(20-13)6-11(18)19)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3,(H,18,19)(H,15,16,17)
InChIKey
WRDDUWAOAXNARV-UHFFFAOYSA-N
Compound name
2-[2-acetamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

310.01788 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02516 168.1
[M+Na]+ 333.00710 179.4
[M+NH4]+ 328.05170 174.9
[M+K]+ 348.98104 173.8
[M-H]- 309.01060 170.1
[M+Na-2H]- 330.99255 173.2
[M]+ 310.01733 170.8
[M]- 310.01843 170.8
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