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

literature stripe

Patent stripe

patents stripe