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]+ 283.03026 160.4
[M+Na]+ 305.01220 168.8
[M-H]- 281.01570 164.8
[M+NH4]+ 300.05680 176.9
[M+K]+ 320.98614 163.2
[M+H-H2O]+ 265.02024 154.3
[M+HCOO]- 327.02118 172.7
[M+CH3COO]- 341.03683 195.0
[M+Na-2H]- 302.99765 159.1
[M]+ 282.02243 162.6
[M]- 282.02353 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.