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

1
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

patents stripe