CID 39840

Alpha-(2-(diethylamino)ethyl)-4-biphenylmethanol hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CCN(CC)CCC(C1=CC=C(C=C1)C2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO/c1-3-20(4-2)15-14-19(21)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,19,21H,3-4,14-15H2,1-2H3

InChIKey

XORPLWRSXSSUCP-UHFFFAOYSA-N

Compound name

3-(diethylamino)-1-(4-phenylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.1936 Da
Monoisotopic Mass: 3.8
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]+	284.200876	170.8
[M+Na]+	306.182818	174.6
[M-H]-	282.186324	176.5
[M+NH4]+	301.227423	185.9
[M+K]+	322.156758	171.0
[M+H-H2O]+	266.190860	162.3
[M+HCOO]-	328.191801	192.6
[M+CH3COO]-	342.207451	206.7
[M+Na-2H]-	304.168266	173.2
[M]+	283.19305142	171.4
[M]-	283.19414858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe