CID 71683617

2-amino-3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propanoic acid

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
C1=CC=C(C(=C1)C2=NC(=CS2)CC(C(=O)O)N)Cl
InChI
InChI=1S/C12H11ClN2O2S/c13-9-4-2-1-3-8(9)11-15-7(6-18-11)5-10(14)12(16)17/h1-4,6,10H,5,14H2,(H,16,17)
InChIKey
SFTXZAJAKVHQJL-UHFFFAOYSA-N
Compound name
2-amino-3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.030256 160.4
[M+Na]+ 305.012198 168.8
[M-H]- 281.015704 164.8
[M+NH4]+ 300.056803 176.9
[M+K]+ 320.986138 163.2
[M+H-H2O]+ 265.020240 154.3
[M+HCOO]- 327.021181 172.7
[M+CH3COO]- 341.036831 195.0
[M+Na-2H]- 302.997646 159.1
[M]+ 282.02243142 162.6
[M]- 282.02352858 162.6
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.