CID 5465794

Nsc662140

Structural Information

Molecular Formula
C22H16N2O3
SMILES
CC1=C2C(=CC=C1)NC3=CC(=C4C(=C3C2=O)NC5=CC=CC(=C5C4=O)C)O
InChI
InChI=1S/C22H16N2O3/c1-10-5-3-7-12-16(10)21(26)18-14(23-12)9-15(25)19-20(18)24-13-8-4-6-11(2)17(13)22(19)27/h3-9,25H,1-2H3,(H,23,26)(H,24,27)
InChIKey
COKVHPUHRWBQGA-UHFFFAOYSA-N
Compound name
7-hydroxy-1,9-dimethyl-5,13-dihydroquinolino[2,3-c]acridine-8,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1161 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12338 185.5
[M+Na]+ 379.10532 199.8
[M-H]- 355.10882 188.4
[M+NH4]+ 374.14992 198.4
[M+K]+ 395.07926 190.6
[M+H-H2O]+ 339.11336 175.9
[M+HCOO]- 401.11430 200.1
[M+CH3COO]- 415.12995 195.8
[M+Na-2H]- 377.09077 193.5
[M]+ 356.11555 188.9
[M]- 356.11665 188.9
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

No patent data available for this compound.