CID 372651

Nsc648148

Structural Information

Molecular Formula
C18H13NO2
SMILES
CC1=CC2=C(C3=C1C(=O)C=CC3=O)N(C4=CC=CC=C42)C
InChI
InChI=1S/C18H13NO2/c1-10-9-12-11-5-3-4-6-13(11)19(2)18(12)17-15(21)8-7-14(20)16(10)17/h3-9H,1-2H3
InChIKey
YVAHCKKXKKJSPD-UHFFFAOYSA-N
Compound name
5,11-dimethylbenzo[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 161.6
[M+Na]+ 298.08386 174.8
[M-H]- 274.08736 168.2
[M+NH4]+ 293.12846 182.2
[M+K]+ 314.05780 168.5
[M+H-H2O]+ 258.09190 154.5
[M+HCOO]- 320.09284 182.4
[M+CH3COO]- 334.10849 175.2
[M+Na-2H]- 296.06931 166.8
[M]+ 275.09409 165.8
[M]- 275.09519 165.8
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.