CID 16423013

Chembl4437244

Structural Information

Molecular Formula
C20H20N4O2
SMILES
CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)N4CCCC4
InChI
InChI=1S/C20H20N4O2/c1-13-14(8-9-18(25)23-10-4-5-11-23)20(26)24-17-7-3-2-6-16(17)22-19(24)15(13)12-21/h2-3,6-7,22H,4-5,8-11H2,1H3
InChIKey
AEVYTKKOGUOZJH-UHFFFAOYSA-N
Compound name
3-methyl-1-oxo-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 185.3
[M+Na]+ 371.14785 197.3
[M+NH4]+ 366.19245 188.3
[M+K]+ 387.12179 190.5
[M-H]- 347.15135 179.4
[M+Na-2H]- 369.13330 185.9
[M]+ 348.15808 184.4
[M]- 348.15918 184.4
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.