CID 5748566

7344-61-8

Structural Information

Molecular Formula
C12H8N2O
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)C(=O)NC=C3
InChI
InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15)
InChIKey
ULIAUQBOGQCMQM-UHFFFAOYSA-N
Compound name
3H-benzo[f][2,7]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

196.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.070936 138.1
[M+Na]+ 219.052878 149.9
[M-H]- 195.056384 140.4
[M+NH4]+ 214.097483 156.4
[M+K]+ 235.026818 144.0
[M+H-H2O]+ 179.060920 130.4
[M+HCOO]- 241.061861 159.0
[M+CH3COO]- 255.077511 151.5
[M+Na-2H]- 217.038326 150.3
[M]+ 196.06311142 138.7
[M]- 196.06420858 138.7
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