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 153.2
[M+Na]+ 273.06345 166.7
[M-H]- 249.06695 157.9
[M+NH4]+ 268.10805 173.4
[M+K]+ 289.03739 161.3
[M+H-H2O]+ 233.07149 145.3
[M+HCOO]- 295.07243 175.2
[M+CH3COO]- 309.08808 167.2
[M+Na-2H]- 271.04890 162.8
[M]+ 250.07368 160.1
[M]- 250.07478 160.1
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.