CID 985922

307327-41-9

Structural Information

Molecular Formula

C₂₃H₂₇N₅

SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC(=C)C

InChI

InChI=1S/C23H27N5/c1-5-18-17(4)19(14-24)22-25-20-8-6-7-9-21(20)28(22)23(18)27-12-10-26(11-13-27)15-16(2)3/h6-9H,2,5,10-13,15H2,1,3-4H3

InChIKey

HRLJCXGZQHBZTQ-UHFFFAOYSA-N

Compound name

2-ethyl-3-methyl-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.22665 Da
Monoisotopic Mass: 5.6
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]+	374.233926	193.4
[M+Na]+	396.215868	203.6
[M-H]-	372.219374	193.8
[M+NH4]+	391.260473	202.3
[M+K]+	412.189808	192.8
[M+H-H2O]+	356.223910	175.4
[M+HCOO]-	418.224851	202.3
[M+CH3COO]-	432.240501	199.7
[M+Na-2H]-	394.201316	191.3
[M]+	373.22610142	187.8
[M]-	373.22719858	187.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.