CID 3043782

N-(2-hydroxybenzoyl)-l-phenylalanine

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H15NO4/c18-14-9-5-4-8-12(14)15(19)17-13(16(20)21)10-11-6-2-1-3-7-11/h1-9,13,18H,10H2,(H,17,19)(H,20,21)/t13-/m0/s1
InChIKey
AVPUMHMECACQJM-ZDUSSCGKSA-N
Compound name
(2S)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

285.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 164.4
[M+Na]+ 308.08932 168.7
[M-H]- 284.09282 168.2
[M+NH4]+ 303.13392 177.6
[M+K]+ 324.06326 165.5
[M+H-H2O]+ 268.09736 156.7
[M+HCOO]- 330.09830 184.3
[M+CH3COO]- 344.11395 198.0
[M+Na-2H]- 306.07477 166.6
[M]+ 285.09955 162.5
[M]- 285.10065 162.5
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