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]+ 276.10192 160.4
[M+Na]+ 298.08386 171.8
[M-H]- 274.08736 166.0
[M+NH4]+ 293.12846 178.6
[M+K]+ 314.05780 165.6
[M+H-H2O]+ 258.09190 151.8
[M+HCOO]- 320.09284 178.9
[M+CH3COO]- 334.10849 172.9
[M+Na-2H]- 296.06931 168.4
[M]+ 275.09409 161.8
[M]- 275.09519 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.