CID 613997

60792-57-6

Structural Information

Molecular Formula
C13H9N3O
SMILES
CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N
InChI
InChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3
InChIKey
ODPPIAGQLCIUJF-UHFFFAOYSA-N
Compound name
3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

223.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08183 151.9
[M+Na]+ 246.06377 166.5
[M-H]- 222.06727 153.3
[M+NH4]+ 241.10837 169.1
[M+K]+ 262.03771 158.1
[M+H-H2O]+ 206.07181 138.2
[M+HCOO]- 268.07275 169.4
[M+CH3COO]- 282.08840 163.5
[M+Na-2H]- 244.04922 157.8
[M]+ 223.07400 148.7
[M]- 223.07510 148.7
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.