CID 3336

Fendiline

Structural Information

Molecular Formula

C₂₃H₂₅N

SMILES

CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3

InChIKey

NMKSAYKQLCHXDK-UHFFFAOYSA-N

Compound name

3,3-diphenyl-N-(1-phenylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 181
References: 9602
Patents: 315.1987 Da
Monoisotopic Mass: 5.5
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]+	316.205976	178.6
[M+Na]+	338.187918	181.0
[M-H]-	314.191424	186.6
[M+NH4]+	333.232523	191.4
[M+K]+	354.161858	175.2
[M+H-H2O]+	298.195960	168.7
[M+HCOO]-	360.196901	200.1
[M+CH3COO]-	374.212551	187.9
[M+Na-2H]-	336.173366	182.3
[M]+	315.19815142	176.0
[M]-	315.19924858	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe