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]+ 363.181576 189.1
[M+Na]+ 385.163518 201.1
[M-H]- 361.167024 192.1
[M+NH4]+ 380.208123 201.6
[M+K]+ 401.137458 191.7
[M+H-H2O]+ 345.171560 173.1
[M+HCOO]- 407.172501 202.6
[M+CH3COO]- 421.188151 197.4
[M+Na-2H]- 383.148966 186.4
[M]+ 362.17375142 186.6
[M]- 362.17484858 186.6
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.