CID 208836

Difeterol

Structural Information

Molecular Formula

C₂₅H₂₉NO₂

SMILES

CC(C(C1=CC=CC=C1)O)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO2/c1-20(24(27)21-12-6-3-7-13-21)26(2)18-19-28-25(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-25,27H,18-19H2,1-2H3

InChIKey

OEHKWMHRFWWMQK-UHFFFAOYSA-N

Compound name

2-[2-benzhydryloxyethyl(methyl)amino]-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 83
Patents: 375.21982 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]+	376.227096	194.7
[M+Na]+	398.209038	195.2
[M-H]-	374.212544	202.4
[M+NH4]+	393.253643	204.5
[M+K]+	414.182978	191.5
[M+H-H2O]+	358.217080	184.1
[M+HCOO]-	420.218021	213.8
[M+CH3COO]-	434.233671	222.9
[M+Na-2H]-	396.194486	194.9
[M]+	375.21927142	194.3
[M]-	375.22036858	194.3

Literature stripe

literature stripe

Patent stripe

patents stripe