CID 3010849

12-methyl-5a,11a-dihydrobenzo[b]acridine-6,11-dione

Structural Information

Molecular Formula
C18H13NO2
SMILES
CC1=C2C=CC=CC2=NC3C1C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H13NO2/c1-10-11-6-4-5-9-14(11)19-16-15(10)17(20)12-7-2-3-8-13(12)18(16)21/h2-9,15-16H,1H3
InChIKey
MKEXHTUKZZDIAR-UHFFFAOYSA-N
Compound name
12-methyl-5a,11a-dihydrobenzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 160.4
[M+Na]+ 298.083858 171.8
[M-H]- 274.087364 166.0
[M+NH4]+ 293.128463 178.6
[M+K]+ 314.057798 165.6
[M+H-H2O]+ 258.091900 151.8
[M+HCOO]- 320.092841 178.9
[M+CH3COO]- 334.108491 172.9
[M+Na-2H]- 296.069306 168.4
[M]+ 275.09409142 161.8
[M]- 275.09518858 161.8
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

No patent data available for this compound.