CID 259218

5-methoxycanthin-6-one

Structural Information

Molecular Formula
C15H10N2O2
SMILES
COC1=CC2=NC=CC3=C2N(C1=O)C4=CC=CC=C34
InChI
InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3
InChIKey
TXEFUSAHPIYZHD-UHFFFAOYSA-N
Compound name
3-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
2
Annotation Hits

12
References

4
Patents

250.07423 Da
Monoisotopic Mass

2.6
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

patents stripe