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 187.5
[M+Na]+ 393.08459 201.3
[M-H]- 369.08809 191.1
[M+NH4]+ 388.12919 200.1
[M+K]+ 409.05853 192.8
[M+H-H2O]+ 353.09263 177.5
[M+HCOO]- 415.09357 201.1
[M+CH3COO]- 429.10922 197.5
[M+Na-2H]- 391.07004 193.3
[M]+ 370.09482 190.1
[M]- 370.09592 190.1
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