CID 3055

Diphenidol

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

InChIKey

OGAKLTJNUQRZJU-UHFFFAOYSA-N

Compound name

1,1-diphenyl-4-piperidin-1-ylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 88
References: 8442
Patents: 309.20926 Da
Monoisotopic Mass: 4.2
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]+	310.216536	176.9
[M+Na]+	332.198478	178.4
[M-H]-	308.201984	181.6
[M+NH4]+	327.243083	188.2
[M+K]+	348.172418	172.7
[M+H-H2O]+	292.206520	166.9
[M+HCOO]-	354.207461	191.5
[M+CH3COO]-	368.223111	202.5
[M+Na-2H]-	330.183926	180.9
[M]+	309.20871142	170.8
[M]-	309.20980858	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe