CID 209394

N-benzoyl-3-phenyl-dl-alanine ethyl ester

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,20)/t16-/m0/s1

InChIKey

WTVXOKSBXDTJEM-INIZCTEOSA-N

Compound name

ethyl (2S)-2-benzamido-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 297.1365 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.14378	171.1
[M+Na]+	320.12572	182.6
[M+NH4]+	315.17032	177.9
[M+K]+	336.09966	176.1
[M-H]-	296.12922	174.7
[M+Na-2H]-	318.11117	178.8
[M]+	297.13595	173.5
[M]-	297.13705	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe