CID 378581

Nsc661221

Structural Information

Molecular Formula
C18H13NO2
SMILES
CC1=CC2=C(C=C1)N(C3=C2C=CC4=C3C(=O)C=CC4=O)C
InChI
InChI=1S/C18H13NO2/c1-10-3-6-14-13(9-10)11-4-5-12-15(20)7-8-16(21)17(12)18(11)19(14)2/h3-9H,1-2H3
InChIKey
XDWNNOGYJWNAAV-UHFFFAOYSA-N
Compound name
8,11-dimethylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
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

literature stripe

Patent stripe

patents stripe