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]+ 319.191726 178.2
[M+Na]+ 341.173668 188.9
[M-H]- 317.177174 181.9
[M+NH4]+ 336.218273 193.2
[M+K]+ 357.147608 178.7
[M+H-H2O]+ 301.181710 162.4
[M+HCOO]- 363.182651 194.7
[M+CH3COO]- 377.198301 187.1
[M+Na-2H]- 339.159116 179.1
[M]+ 318.18390142 173.3
[M]- 318.18499858 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.