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]+ 251.081506 153.2
[M+Na]+ 273.063448 166.7
[M-H]- 249.066954 157.9
[M+NH4]+ 268.108053 173.4
[M+K]+ 289.037388 161.3
[M+H-H2O]+ 233.071490 145.3
[M+HCOO]- 295.072431 175.2
[M+CH3COO]- 309.088081 167.2
[M+Na-2H]- 271.048896 162.8
[M]+ 250.07368142 160.1
[M]- 250.07477858 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.