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

3
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

literature stripe

Patent stripe

patents stripe