CID 372650

Nsc648147

Structural Information

Molecular Formula
C18H13NO2
SMILES
CC1=CC2=C(C(=O)C=CC2=O)C3=C1C4=CC=CC=C4N3C
InChI
InChI=1S/C18H13NO2/c1-10-9-12-14(20)7-8-15(21)17(12)18-16(10)11-5-3-4-6-13(11)19(18)2/h3-9H,1-2H3
InChIKey
PHQKWTSPLGTTCW-UHFFFAOYSA-N
Compound name
6,11-dimethylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 161.6
[M+Na]+ 298.083858 174.8
[M-H]- 274.087364 168.2
[M+NH4]+ 293.128463 182.2
[M+K]+ 314.057798 168.5
[M+H-H2O]+ 258.091900 154.5
[M+HCOO]- 320.092841 182.4
[M+CH3COO]- 334.108491 175.2
[M+Na-2H]- 296.069306 166.8
[M]+ 275.09409142 165.8
[M]- 275.09518858 165.8
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.