CID 212088

23903-11-9

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

CN(CCCO)CCC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO/c1-20(14-8-16-21)15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19,21H,8,13-16H2,1H3

InChIKey

XDMUMVWBXZKTQI-UHFFFAOYSA-N

Compound name

3-[3,3-diphenylpropyl(methyl)amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 283.1936 Da
Monoisotopic Mass: 3.1
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	170.9
[M+Na]+	306.182818	173.8
[M-H]-	282.186324	176.3
[M+NH4]+	301.227423	185.7
[M+K]+	322.156758	170.1
[M+H-H2O]+	266.190860	162.2
[M+HCOO]-	328.191801	192.8
[M+CH3COO]-	342.207451	205.6
[M+Na-2H]-	304.168266	174.1
[M]+	283.19305142	171.1
[M]-	283.19414858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe