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]+ 374.23393 192.5
[M+Na]+ 396.21587 201.9
[M-H]- 372.21937 192.5
[M+NH4]+ 391.26047 201.2
[M+K]+ 412.18981 191.1
[M+H-H2O]+ 356.22391 174.2
[M+HCOO]- 418.22485 201.4
[M+CH3COO]- 432.24050 198.5
[M+Na-2H]- 394.20132 191.2
[M]+ 373.22610 186.6
[M]- 373.22720 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.