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]+ 374.23393 189.6
[M+Na]+ 396.21587 198.0
[M-H]- 372.21937 191.3
[M+NH4]+ 391.26047 197.6
[M+K]+ 412.18981 185.8
[M+H-H2O]+ 356.22391 170.2
[M+HCOO]- 418.22485 196.5
[M+CH3COO]- 432.24050 195.0
[M+Na-2H]- 394.20132 188.4
[M]+ 373.22610 178.7
[M]- 373.22720 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.