CID 254705

Nsc79232

Structural Information

Molecular Formula
C21H13NO2
SMILES
CC1=CC2=C(C3=C1C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5C2=O
InChI
InChI=1S/C21H13NO2/c1-11-10-15-18(19-17(11)14-8-4-5-9-16(14)22-19)21(24)13-7-3-2-6-12(13)20(15)23/h2-10,22H,1H3
InChIKey
OIHSFIOWCFZTOT-UHFFFAOYSA-N
Compound name
7-methyl-12H-naphtho[3,2-a]carbazole-5,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.09464 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10192 171.2
[M+Na]+ 334.08386 183.7
[M-H]- 310.08736 177.1
[M+NH4]+ 329.12846 190.1
[M+K]+ 350.05780 175.4
[M+H-H2O]+ 294.09190 163.3
[M+HCOO]- 356.09284 189.0
[M+CH3COO]- 370.10849 183.2
[M+Na-2H]- 332.06931 177.0
[M]+ 311.09409 173.2
[M]- 311.09519 173.2
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.