CID 2351

Bepridil

Structural Information

Molecular Formula

C₂₄H₃₄N₂O

SMILES

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3

InChIKey

UIEATEWHFDRYRU-UHFFFAOYSA-N

Compound name

N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 907
References: 18163
Patents: 366.26712 Da
Monoisotopic Mass: 5.3
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]+	367.27440	194.5
[M+Na]+	389.25634	194.2
[M-H]-	365.25984	201.9
[M+NH4]+	384.30094	206.1
[M+K]+	405.23028	190.6
[M+H-H2O]+	349.26438	183.4
[M+HCOO]-	411.26532	213.0
[M+CH3COO]-	425.28097	222.6
[M+Na-2H]-	387.24179	192.3
[M]+	366.26657	193.4
[M]-	366.26767	193.4

Literature stripe

literature stripe

Patent stripe

patents stripe