CID 375749

Nsc655896

Structural Information

Molecular Formula
C18H13NO2
SMILES
CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C18H13NO2/c1-2-19-14-6-4-3-5-11(14)12-7-8-13-15(20)9-10-16(21)17(13)18(12)19/h3-10H,2H2,1H3
InChIKey
XMXDDIRXAZIYCB-UHFFFAOYSA-N
Compound name
11-ethylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 161.5
[M+Na]+ 298.08386 173.9
[M-H]- 274.08736 167.7
[M+NH4]+ 293.12846 181.8
[M+K]+ 314.05780 167.5
[M+H-H2O]+ 258.09190 154.1
[M+HCOO]- 320.09284 182.4
[M+CH3COO]- 334.10849 174.8
[M+Na-2H]- 296.06931 167.4
[M]+ 275.09409 165.2
[M]- 275.09519 165.2
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.