CID 56848967

Adfence-p free base

Structural Information

Molecular Formula

C₂₂H₂₅N₃O

SMILES

CC1=CC(=CC=C1)CN2C(=NC3=C2C=CC(=C3)C(=O)N4CCCCC4)C

InChI

InChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3

InChIKey

FWLBCCWBWAZRLY-UHFFFAOYSA-N

Compound name

[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 347.19977 Da
Monoisotopic Mass: 4.1
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]+	348.207046	187.0
[M+Na]+	370.188988	194.1
[M-H]-	346.192494	193.3
[M+NH4]+	365.233593	198.5
[M+K]+	386.162928	187.3
[M+H-H2O]+	330.197030	175.6
[M+HCOO]-	392.197971	202.8
[M+CH3COO]-	406.213621	196.1
[M+Na-2H]-	368.174436	186.8
[M]+	347.19922142	185.7
[M]-	347.20031858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe