CID 70423

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-2,9-dimethyl-

Structural Information

Molecular Formula
C22H16N2O2
SMILES
CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C
InChI
InChI=1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
TXWSZJSDZKWQAU-UHFFFAOYSA-N
Compound name
2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4981
Patents

340.1212 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 181.5
[M+Na]+ 363.11042 195.7
[M-H]- 339.11392 185.3
[M+NH4]+ 358.15502 195.5
[M+K]+ 379.08436 186.1
[M+H-H2O]+ 323.11846 171.5
[M+HCOO]- 385.11940 197.6
[M+CH3COO]- 399.13505 192.3
[M+Na-2H]- 361.09587 190.5
[M]+ 340.12065 184.7
[M]- 340.12175 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

literature stripe

Patent stripe

patents stripe