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]+ 238.097486 155.9
[M+Na]+ 260.079428 170.1
[M-H]- 236.082934 157.1
[M+NH4]+ 255.124033 172.6
[M+K]+ 276.053368 161.5
[M+H-H2O]+ 220.087470 142.0
[M+HCOO]- 282.088411 173.1
[M+CH3COO]- 296.104061 167.1
[M+Na-2H]- 258.064876 161.3
[M]+ 237.08966142 153.0
[M]- 237.09075858 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