CID 513112

Ethyl 4-cyano-1-oxo-5h-pyrido[1,2-a]benzimidazole-2-carboxylate

Structural Information

Molecular Formula
C15H11N3O3
SMILES
CCOC(=O)C1=CC(=C2NC3=CC=CC=C3N2C1=O)C#N
InChI
InChI=1S/C15H11N3O3/c1-2-21-15(20)10-7-9(8-16)13-17-11-5-3-4-6-12(11)18(13)14(10)19/h3-7,17H,2H2,1H3
InChIKey
AMHXKEKFNWBDGQ-UHFFFAOYSA-N
Compound name
ethyl 4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 166.1
[M+Na]+ 304.06927 179.4
[M-H]- 280.07277 167.2
[M+NH4]+ 299.11387 180.8
[M+K]+ 320.04321 171.9
[M+H-H2O]+ 264.07731 151.9
[M+HCOO]- 326.07825 182.4
[M+CH3COO]- 340.09390 176.4
[M+Na-2H]- 302.05472 170.0
[M]+ 281.07950 164.6
[M]- 281.08060 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.