CID 1542057

612522-83-5

Structural Information

Molecular Formula
C23H27N5
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CC(=C)C)C#N
InChI
InChI=1S/C23H27N5/c1-4-7-18-14-22(27-12-10-26(11-13-27)16-17(2)3)28-21-9-6-5-8-20(21)25-23(28)19(18)15-24/h5-6,8-9,14H,2,4,7,10-13,16H2,1,3H3
InChIKey
PRUASTKNIRSEPP-UHFFFAOYSA-N
Compound name
1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-propylpyrido[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

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.233926 192.5
[M+Na]+ 396.215868 201.9
[M-H]- 372.219374 192.5
[M+NH4]+ 391.260473 201.2
[M+K]+ 412.189808 191.1
[M+H-H2O]+ 356.223910 174.2
[M+HCOO]- 418.224851 201.4
[M+CH3COO]- 432.240501 198.5
[M+Na-2H]- 394.201316 191.2
[M]+ 373.22610142 186.6
[M]- 373.22719858 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.