CID 2114010

11-ethyl-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile

Structural Information

Molecular Formula
C14H11N3O
SMILES
CCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N
InChI
InChI=1S/C14H11N3O/c1-2-9-7-13(18)17-12-6-4-3-5-11(12)16-14(17)10(9)8-15/h3-7,16H,2H2,1H3
InChIKey
ACAAPKOMFIGKAK-UHFFFAOYSA-N
Compound name
3-ethyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

237.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 155.9
[M+Na]+ 260.07943 170.1
[M-H]- 236.08293 157.1
[M+NH4]+ 255.12403 172.6
[M+K]+ 276.05337 161.5
[M+H-H2O]+ 220.08747 142.0
[M+HCOO]- 282.08841 173.1
[M+CH3COO]- 296.10406 167.1
[M+Na-2H]- 258.06488 161.3
[M]+ 237.08966 153.0
[M]- 237.09076 153.0
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.