CID 118728713

5-hydroxy-4-methoxy-3-methyl-2,6-canthinedione

Structural Information

Molecular Formula
C16H12N2O4
SMILES
CN1C(=O)C=C2C3=CC=CC=C3N4C2=C1C(=C(C4=O)O)OC
InChI
InChI=1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3
InChIKey
CQFOPDQAOBCODL-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0797 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 164.9
[M+Na]+ 319.06892 182.0
[M+NH4]+ 314.11352 172.8
[M+K]+ 335.04286 176.7
[M-H]- 295.07242 166.4
[M+Na-2H]- 317.05437 169.2
[M]+ 296.07915 167.9
[M]- 296.08025 167.9
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.