CID 202448

Benzhydrol, 2-(3-(dimethylamino)propoxy)-alpha-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₂₄H₂₇NO₂

SMILES

CN(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C24H27NO2/c1-25(2)18-11-19-27-23-17-10-9-16-22(23)24(26,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-10,12-17,26H,11,18-19H2,1-2H3

InChIKey

LDHIILJWZLHWHK-UHFFFAOYSA-N

Compound name

[2-[3-(dimethylamino)propoxy]phenyl]-diphenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.2042 Da
Monoisotopic Mass: 4.6
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]+	362.211476	189.8
[M+Na]+	384.193418	193.1
[M-H]-	360.196924	198.3
[M+NH4]+	379.238023	201.0
[M+K]+	400.167358	188.6
[M+H-H2O]+	344.201460	179.7
[M+HCOO]-	406.202401	210.7
[M+CH3COO]-	420.218051	219.1
[M+Na-2H]-	382.178866	194.2
[M]+	361.20365142	190.8
[M]-	361.20474858	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.