CID 75604

2490-60-0

Structural Information

Molecular Formula
C20H8Cl2N2O4
SMILES
C1=CC2=C(C=C1Cl)C(=O)C3=C(N2)C(=O)C4=C(C3=O)NC5=C(C4=O)C=C(C=C5)Cl
InChI
InChI=1S/C20H8Cl2N2O4/c21-7-1-3-11-9(5-7)17(25)13-15(23-11)19(27)14-16(20(13)28)24-12-4-2-8(22)6-10(12)18(14)26/h1-6H,(H,23,25)(H,24,26)
InChIKey
LGVIDCRFSIRUGG-UHFFFAOYSA-N
Compound name
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-6,7,13,14-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

409.9861 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.99338 189.0
[M+Na]+ 432.97532 209.8
[M+NH4]+ 428.01992 197.2
[M+K]+ 448.94926 199.5
[M-H]- 408.97882 192.2
[M+Na-2H]- 430.96077 194.1
[M]+ 409.98555 193.7
[M]- 409.98665 193.7
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