CID 7019740

93983-56-3

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

COC(=O)[C@H](CC1=CN(C=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C14H17N3O2/c1-19-14(18)13(15)7-12-9-17(10-16-12)8-11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,15H2,1H3/t13-/m0/s1

InChIKey

YFMBSJZZOLRNRV-ZDUSSCGKSA-N

Compound name

methyl (2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 259.13208 Da
Monoisotopic Mass: 0.9
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]+	260.13936	160.3
[M+Na]+	282.12130	170.9
[M+NH4]+	277.16590	166.6
[M+K]+	298.09524	167.5
[M-H]-	258.12480	162.2
[M+Na-2H]-	280.10675	166.5
[M]+	259.13153	162.0
[M]-	259.13263	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe