CID 369537

Nsc641394

Structural Information

Molecular Formula
C22H13NO2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O
InChI
InChI=1S/C22H13NO2/c24-19-12-13-20(25)21-17(19)11-10-16-15-8-4-5-9-18(15)23(22(16)21)14-6-2-1-3-7-14/h1-13H
InChIKey
DJPKUBKDRCRYKZ-UHFFFAOYSA-N
Compound name
11-phenylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10192 175.2
[M+Na]+ 346.08386 186.8
[M-H]- 322.08736 184.3
[M+NH4]+ 341.12846 192.7
[M+K]+ 362.05780 179.1
[M+H-H2O]+ 306.09190 165.9
[M+HCOO]- 368.09284 195.8
[M+CH3COO]- 382.10849 187.4
[M+Na-2H]- 344.06931 180.7
[M]+ 323.09409 177.4
[M]- 323.09519 177.4
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

No patent data available for this compound.