CID 261068

Nsc92940

Structural Information

Molecular Formula
C21H13NO2
SMILES
CN1C2=C(C3=CC=CC=C31)C4=C(C=C2)C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C21H13NO2/c1-22-16-9-5-4-8-14(16)18-17(22)11-10-15-19(18)21(24)13-7-3-2-6-12(13)20(15)23/h2-11H,1H3
InChIKey
OKHLYHMXZYGXJS-UHFFFAOYSA-N
Compound name
5-methylnaphtho[2,3-c]carbazole-8,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.09464 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10192 171.5
[M+Na]+ 334.08386 184.3
[M-H]- 310.08736 178.7
[M+NH4]+ 329.12846 191.1
[M+K]+ 350.05780 176.8
[M+H-H2O]+ 294.09190 163.1
[M+HCOO]- 356.09284 190.7
[M+CH3COO]- 370.10849 184.1
[M+Na-2H]- 332.06931 177.5
[M]+ 311.09409 175.1
[M]- 311.09519 175.1
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.