CID 11382230

Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-3,10-dimethyl-

Structural Information

Molecular Formula
C22H16N2O2
SMILES
CC1=CC2=C(C=C1)C(=O)C3=CC4=C(C=C3N2)C(=O)C5=C(N4)C=C(C=C5)C
InChI
InChI=1S/C22H16N2O2/c1-11-3-5-13-17(7-11)23-19-9-16-20(10-15(19)21(13)25)24-18-8-12(2)4-6-14(18)22(16)26/h3-10H,1-2H3,(H,23,25)(H,24,26)
InChIKey
SMNAVTCHDQBEEJ-UHFFFAOYSA-N
Compound name
3,10-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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

No literature data available for this compound.

Patent stripe

patents stripe