CID 830178

612522-93-7

Structural Information

Molecular Formula
C20H22N4
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4CCCC4)C#N
InChI
InChI=1S/C20H22N4/c1-2-7-14-12-19(22-15-8-3-4-9-15)24-18-11-6-5-10-17(18)23-20(24)16(14)13-21/h5-6,10-12,15,22H,2-4,7-9H2,1H3
InChIKey
CDOJAVIKJSMQMX-UHFFFAOYSA-N
Compound name
1-(cyclopentylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.18445 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19173 178.2
[M+Na]+ 341.17367 188.9
[M-H]- 317.17717 181.9
[M+NH4]+ 336.21827 193.2
[M+K]+ 357.14761 178.7
[M+H-H2O]+ 301.18171 162.4
[M+HCOO]- 363.18265 194.7
[M+CH3COO]- 377.19830 187.1
[M+Na-2H]- 339.15912 179.1
[M]+ 318.18390 173.3
[M]- 318.18500 173.3
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.