CID 3143066

3-(2-chloro-benzoylamino)-3-phenyl-propionic acid

Structural Information

Molecular Formula
C16H14ClNO3
SMILES
C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)16(21)18-14(10-15(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChIKey
MVVMUFGXEHCLPW-UHFFFAOYSA-N
Compound name
3-[(2-chlorobenzoyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

303.06622 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07350 167.0
[M+Na]+ 326.05544 172.7
[M-H]- 302.05894 172.0
[M+NH4]+ 321.10004 181.2
[M+K]+ 342.02938 167.8
[M+H-H2O]+ 286.06348 160.2
[M+HCOO]- 348.06442 183.8
[M+CH3COO]- 362.08007 201.8
[M+Na-2H]- 324.04089 169.2
[M]+ 303.06567 168.0
[M]- 303.06677 168.0
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

No patent data available for this compound.