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

literature stripe

Patent stripe

patents stripe