CID 984666

304861-76-5

Structural Information

Molecular Formula
C23H27N5
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5CCCCC5)C#N
InChI
InChI=1S/C23H27N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h5-6,9-10,15,18H,2-4,7-8,11-14H2,1H3
InChIKey
JFCYTEJGCKVSJH-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

373.22665 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.233926 189.6
[M+Na]+ 396.215868 198.0
[M-H]- 372.219374 191.3
[M+NH4]+ 391.260473 197.6
[M+K]+ 412.189808 185.8
[M+H-H2O]+ 356.223910 170.2
[M+HCOO]- 418.224851 196.5
[M+CH3COO]- 432.240501 195.0
[M+Na-2H]- 394.201316 188.4
[M]+ 373.22610142 178.7
[M]- 373.22719858 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.