CID 946253

611197-80-9

Structural Information

Molecular Formula
C19H20N4
SMILES
CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCCC4)C#N
InChI
InChI=1S/C19H20N4/c1-13(2)14-11-18(22-9-5-6-10-22)23-17-8-4-3-7-16(17)21-19(23)15(14)12-20/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3
InChIKey
ZFILESHBWOWDML-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1-pyrrolidin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1688 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.176076 174.4
[M+Na]+ 327.158018 185.8
[M-H]- 303.161524 177.0
[M+NH4]+ 322.202623 188.8
[M+K]+ 343.131958 176.2
[M+H-H2O]+ 287.166060 158.1
[M+HCOO]- 349.167001 188.1
[M+CH3COO]- 363.182651 183.3
[M+Na-2H]- 325.143466 173.9
[M]+ 304.16825142 169.6
[M]- 304.16934858 169.6
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.