CID 10106139

2-methoxycanthin-6-one

Structural Information

Molecular Formula
C15H10N2O2
SMILES
COC1=NC2=C3C(=C1)C4=CC=CC=C4N3C(=O)C=C2
InChI
InChI=1S/C15H10N2O2/c1-19-13-8-10-9-4-2-3-5-12(9)17-14(18)7-6-11(16-13)15(10)17/h2-8H,1H3
InChIKey
CDWAXMGQLZGHDU-UHFFFAOYSA-N
Compound name
7-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

250.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 152.6
[M+Na]+ 273.06345 170.4
[M+NH4]+ 268.10805 162.5
[M+K]+ 289.03739 163.5
[M-H]- 249.06695 155.6
[M+Na-2H]- 271.04890 159.7
[M]+ 250.07368 156.3
[M]- 250.07478 156.3
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.