CID 155289451

Chebi:158993

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CC1=C(C(=O)N2C3=CC=CC=C3N(C2=C1C#N)C)CCC(=O)N4CCCC4
InChI
InChI=1S/C21H22N4O2/c1-14-15(9-10-19(26)24-11-5-6-12-24)21(27)25-18-8-4-3-7-17(18)23(2)20(25)16(14)13-22/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey
XUCPFEBLRWHXIN-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-oxo-2-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 188.0
[M+Na]+ 385.16352 200.7
[M+NH4]+ 380.20812 191.2
[M+K]+ 401.13746 193.6
[M-H]- 361.16702 182.7
[M+Na-2H]- 383.14897 188.8
[M]+ 362.17375 187.4
[M]- 362.17485 187.4
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.