CID 3010855

7h-naphtho[1,2,3-ij][2,7]naphthyridin-7-one, 6a,11c-dihydro-3-methoxy-

Structural Information

Molecular Formula
C16H12N2O2
SMILES
COC1=CN=C2C3C1=CC=NC3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C16H12N2O2/c1-20-12-8-18-14-9-4-2-3-5-10(9)16(19)15-13(14)11(12)6-7-17-15/h2-8,13,15H,1H3
InChIKey
PSBAFLWKSOAOCS-UHFFFAOYSA-N
Compound name
14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,12,14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 158.9
[M+Na]+ 287.07909 168.7
[M-H]- 263.08259 161.8
[M+NH4]+ 282.12369 176.0
[M+K]+ 303.05303 163.5
[M+H-H2O]+ 247.08713 149.4
[M+HCOO]- 309.08807 175.2
[M+CH3COO]- 323.10372 170.4
[M+Na-2H]- 285.06454 167.9
[M]+ 264.08932 160.7
[M]- 264.09042 160.7
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

No patent data available for this compound.