CID 375750

Nsc655897

Structural Information

Molecular Formula
C21H12N2O2
SMILES
C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=N4)C5=C(C=C3)C(=O)C=CC5=O
InChI
InChI=1S/C21H12N2O2/c24-17-10-11-18(25)20-15(17)9-8-14-13-5-1-2-6-16(13)23(21(14)20)19-7-3-4-12-22-19/h1-12H
InChIKey
NIXDVAMVVBWQGY-UHFFFAOYSA-N
Compound name
11-pyridin-2-ylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09715 175.7
[M+Na]+ 347.07909 187.7
[M-H]- 323.08259 183.5
[M+NH4]+ 342.12369 191.7
[M+K]+ 363.05303 180.0
[M+H-H2O]+ 307.08713 165.6
[M+HCOO]- 369.08807 195.2
[M+CH3COO]- 383.10372 187.5
[M+Na-2H]- 345.06454 181.7
[M]+ 324.08932 178.0
[M]- 324.09042 178.0
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.