CID 11184822

Koeniginequinone b

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1=CC(=O)C2=C(C1=O)C3=CC(=C(C=C3N2)OC)OC
InChI
InChI=1S/C15H13NO4/c1-7-4-10(17)14-13(15(7)18)8-5-11(19-2)12(20-3)6-9(8)16-14/h4-6,16H,1-3H3
InChIKey
NIRRSVHUEHTZSM-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-methyl-9H-carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

271.08447 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 157.6
[M+Na]+ 294.07369 170.2
[M-H]- 270.07719 162.1
[M+NH4]+ 289.11829 176.9
[M+K]+ 310.04763 165.8
[M+H-H2O]+ 254.08173 151.6
[M+HCOO]- 316.08267 178.8
[M+CH3COO]- 330.09832 198.6
[M+Na-2H]- 292.05914 161.7
[M]+ 271.08392 163.3
[M]- 271.08502 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.