CID 13750350

Quino(2,3-b)acridine-7,14-dione, 5,12-dihydro-4,11-dimethyl-

Structural Information

Molecular Formula
C22H16N2O2
SMILES
CC1=C2C(=CC=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=CC=CC(=C5N4)C
InChI
InChI=1S/C22H16N2O2/c1-11-5-3-7-13-19(11)23-17-9-16-18(10-15(17)21(13)25)24-20-12(2)6-4-8-14(20)22(16)26/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
DGWVTMBLTSNMFN-UHFFFAOYSA-N
Compound name
4,11-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

340.1212 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.128476 181.5
[M+Na]+ 363.110418 195.7
[M-H]- 339.113924 185.3
[M+NH4]+ 358.155023 195.5
[M+K]+ 379.084358 186.1
[M+H-H2O]+ 323.118460 171.5
[M+HCOO]- 385.119401 197.6
[M+CH3COO]- 399.135051 192.3
[M+Na-2H]- 361.095866 190.5
[M]+ 340.12065142 184.7
[M]- 340.12174858 184.7
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

patents stripe