CID 4518223

21948-10-7

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

C1=CC=C(C=C1)COCC(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C17H19NO3/c18-16(13-20-11-14-7-3-1-4-8-14)17(19)21-12-15-9-5-2-6-10-15/h1-10,16H,11-13,18H2

InChIKey

ZYSSRDBCZVJBPQ-UHFFFAOYSA-N

Compound name

benzyl 2-amino-3-phenylmethoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 285.1365 Da
Monoisotopic Mass: 2.1
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]+	286.14378	168.0
[M+Na]+	308.12572	179.7
[M+NH4]+	303.17032	175.2
[M+K]+	324.09966	172.9
[M-H]-	284.12922	171.9
[M+Na-2H]-	306.11117	175.9
[M]+	285.13595	170.6
[M]-	285.13705	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe