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]+ 305.17608 174.4
[M+Na]+ 327.15802 185.8
[M-H]- 303.16152 177.0
[M+NH4]+ 322.20262 188.8
[M+K]+ 343.13196 176.2
[M+H-H2O]+ 287.16606 158.1
[M+HCOO]- 349.16700 188.1
[M+CH3COO]- 363.18265 183.3
[M+Na-2H]- 325.14347 173.9
[M]+ 304.16825 169.6
[M]- 304.16935 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.