CID 353587

Nsc602243

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC(=O)C2=C(N1)N=C(C3=CC=CC=C32)OC
InChI
InChI=1S/C14H12N2O2/c1-8-7-11(17)12-9-5-3-4-6-10(9)14(18-2)16-13(12)15-8/h3-7H,1-2H3,(H,15,16,17)
InChIKey
GITJDBRDVFSWIA-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-4H-benzo[c][1,8]naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 151.7
[M+Na]+ 263.07909 164.2
[M-H]- 239.08259 154.4
[M+NH4]+ 258.12369 168.7
[M+K]+ 279.05303 158.6
[M+H-H2O]+ 223.08713 143.7
[M+HCOO]- 285.08807 171.9
[M+CH3COO]- 299.10372 164.7
[M+Na-2H]- 261.06454 161.2
[M]+ 240.08932 155.1
[M]- 240.09042 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.