CID 213215

25772-96-7

Structural Information

Molecular Formula

C₂₃H₂₅NO

SMILES

CN(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H25NO/c1-24(19-20-11-5-2-6-12-20)18-17-23(25,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,25H,17-19H2,1H3

InChIKey

WDUPYBCZNIANIS-UHFFFAOYSA-N

Compound name

3-[benzyl(methyl)amino]-1,1-diphenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.1936 Da
Monoisotopic Mass: 4.4
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]+	332.200876	181.6
[M+Na]+	354.182818	184.7
[M-H]-	330.186324	190.0
[M+NH4]+	349.227423	193.9
[M+K]+	370.156758	179.5
[M+H-H2O]+	314.190860	171.9
[M+HCOO]-	376.191801	202.7
[M+CH3COO]-	390.207451	213.0
[M+Na-2H]-	352.168266	187.2
[M]+	331.19305142	180.5
[M]-	331.19414858	180.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.