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]+ 319.191726 179.9
[M+Na]+ 341.173668 190.3
[M-H]- 317.177174 183.8
[M+NH4]+ 336.218273 194.9
[M+K]+ 357.147608 180.6
[M+H-H2O]+ 301.181710 164.4
[M+HCOO]- 363.182651 195.5
[M+CH3COO]- 377.198301 188.7
[M+Na-2H]- 339.159116 179.8
[M]+ 318.18390142 174.5
[M]- 318.18499858 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.