CID 52361

73747-40-7

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)

InChIKey

WPOFMMJJCPZPAO-UHFFFAOYSA-N

Compound name

benzyl N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 285.1365 Da
Monoisotopic Mass: 2.8
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]+	286.143776	167.3
[M+Na]+	308.125718	170.9
[M-H]-	284.129224	171.8
[M+NH4]+	303.170323	181.2
[M+K]+	324.099658	167.5
[M+H-H2O]+	268.133760	159.0
[M+HCOO]-	330.134701	189.0
[M+CH3COO]-	344.150351	199.1
[M+Na-2H]-	306.111166	171.2
[M]+	285.13595142	166.9
[M]-	285.13704858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe