CID 79855

2,9-dimethylquino[2,3-b]acridine-6,7,13,14(5h,12h)-tetrone

Structural Information

Molecular Formula
C22H14N2O4
SMILES
CC1=CC2=C(C=C1)NC3=C(C2=O)C(=O)C4=C(C3=O)C(=O)C5=C(N4)C=CC(=C5)C
InChI
InChI=1S/C22H14N2O4/c1-9-3-5-13-11(7-9)19(25)15-17(23-13)22(28)16-18(21(15)27)24-14-6-4-10(2)8-12(14)20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26)
InChIKey
NRJPXRSODWVILF-UHFFFAOYSA-N
Compound name
2,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

370.09537 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10265 188.0
[M+Na]+ 393.08459 207.0
[M+NH4]+ 388.12919 195.4
[M+K]+ 409.05853 197.9
[M-H]- 369.08809 191.0
[M+Na-2H]- 391.07004 192.3
[M]+ 370.09482 191.7
[M]- 370.09592 191.7
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