CID 3055735

2-propanol, 1-benzylamino-3-benzyloxy-, maleate

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

C1=CC=C(C=C1)CNCC(COCC2=CC=CC=C2)O

InChI

InChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2

InChIKey

RBWDXIHJXAZLIR-UHFFFAOYSA-N

Compound name

1-(benzylamino)-3-phenylmethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 271.15723 Da
Monoisotopic Mass: 2.0
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]+	272.164506	164.2
[M+Na]+	294.146448	167.7
[M-H]-	270.149954	168.4
[M+NH4]+	289.191053	178.7
[M+K]+	310.120388	163.7
[M+H-H2O]+	254.154490	155.9
[M+HCOO]-	316.155431	186.5
[M+CH3COO]-	330.171081	198.3
[M+Na-2H]-	292.131896	169.4
[M]+	271.15668142	163.9
[M]-	271.15777858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe