CID 27497

Bs-33

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CC(C(C1=CC=CC=C1)O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21NO2/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3

InChIKey

IPCCISUWBYVNLX-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 271.15723 Da
Monoisotopic Mass: 2.5
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	164.9
[M+Na]+	294.146448	169.0
[M-H]-	270.149954	169.6
[M+NH4]+	289.191053	179.7
[M+K]+	310.120388	165.7
[M+H-H2O]+	254.154490	156.9
[M+HCOO]-	316.155431	186.2
[M+CH3COO]-	330.171081	200.3
[M+Na-2H]-	292.131896	168.0
[M]+	271.15668142	164.4
[M]-	271.15777858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe