CID 6477183

Benz[b]acridine-6,11-dione, 12-methyl-

Structural Information

Molecular Formula
C18H11NO2
SMILES
CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C18H11NO2/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/h2-9H,1H3
InChIKey
PZGXVTAEJLFKLP-UHFFFAOYSA-N
Compound name
12-methylbenzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

273.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08626 160.0
[M+Na]+ 296.06820 171.4
[M-H]- 272.07170 165.6
[M+NH4]+ 291.11280 178.2
[M+K]+ 312.04214 165.2
[M+H-H2O]+ 256.07624 151.4
[M+HCOO]- 318.07718 178.6
[M+CH3COO]- 332.09283 172.5
[M+Na-2H]- 294.05365 168.0
[M]+ 273.07843 161.4
[M]- 273.07953 161.4
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.