CID 513109

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

Structural Information

Molecular Formula
C21H17N3O4
SMILES
CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O4/c1-2-28-21(27)14-12-16(23-19(25)13-8-4-3-5-9-13)20(26)24-17-11-7-6-10-15(17)22-18(14)24/h3-12,22H,2H2,1H3,(H,23,25)
InChIKey
BTKQCGILINMYFW-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12192 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 186.3
[M+Na]+ 398.11114 195.1
[M-H]- 374.11464 191.9
[M+NH4]+ 393.15574 198.1
[M+K]+ 414.08508 189.3
[M+H-H2O]+ 358.11918 176.9
[M+HCOO]- 420.12012 205.9
[M+CH3COO]- 434.13577 196.3
[M+Na-2H]- 396.09659 190.3
[M]+ 375.12137 189.7
[M]- 375.12247 189.7
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.