CID 935605

611197-83-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.18445 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19173 179.9
[M+Na]+ 341.17367 190.3
[M-H]- 317.17717 183.8
[M+NH4]+ 336.21827 194.9
[M+K]+ 357.14761 180.6
[M+H-H2O]+ 301.18171 164.4
[M+HCOO]- 363.18265 195.5
[M+CH3COO]- 377.19830 188.7
[M+Na-2H]- 339.15912 179.8
[M]+ 318.18390 174.5
[M]- 318.18500 174.5
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.