CID 3010856

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

Structural Information

Molecular Formula
C16H12N2O
SMILES
CC1=CN=C2C3C1=CC=NC3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C16H12N2O/c1-9-8-18-14-11-4-2-3-5-12(11)16(19)15-13(14)10(9)6-7-17-15/h2-8,13,15H,1H3
InChIKey
CHNFFFTUQVIZMN-UHFFFAOYSA-N
Compound name
14-methyl-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

248.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 155.7
[M+Na]+ 271.08418 165.8
[M-H]- 247.08768 158.7
[M+NH4]+ 266.12878 173.7
[M+K]+ 287.05812 159.9
[M+H-H2O]+ 231.09222 146.5
[M+HCOO]- 293.09316 171.9
[M+CH3COO]- 307.10881 167.4
[M+Na-2H]- 269.06963 164.7
[M]+ 248.09441 156.2
[M]- 248.09551 156.2
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.