CID 261064

Nsc629125

Structural Information

Molecular Formula
C16H9NO2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C16H9NO2/c18-13-7-8-14(19)15-11(13)6-5-10-9-3-1-2-4-12(9)17-16(10)15/h1-8,17H
InChIKey
KUPYOMMOYLJZLR-UHFFFAOYSA-N
Compound name
11H-benzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.06332 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07060 151.7
[M+Na]+ 270.05254 163.7
[M-H]- 246.05604 156.6
[M+NH4]+ 265.09714 172.2
[M+K]+ 286.02648 156.9
[M+H-H2O]+ 230.06058 144.9
[M+HCOO]- 292.06152 171.9
[M+CH3COO]- 306.07717 165.0
[M+Na-2H]- 268.03799 159.1
[M]+ 247.06277 152.7
[M]- 247.06387 152.7
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.