CID 75440

4,11-dichloroquinacridonequinone

Structural Information

Molecular Formula
C20H8Cl2N2O4
SMILES
C1=CC2=C(C(=C1)Cl)NC3=C(C2=O)C(=O)C4=C(C3=O)C(=O)C5=C(N4)C(=CC=C5)Cl
InChI
InChI=1S/C20H8Cl2N2O4/c21-9-5-1-3-7-13(9)23-15-11(17(7)25)19(27)16-12(20(15)28)18(26)8-4-2-6-10(22)14(8)24-16/h1-6H,(H,23,25)(H,24,26)
InChIKey
QNOGVEMFYBHBED-UHFFFAOYSA-N
Compound name
4,11-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

14
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 186.9
[M+Na]+ 432.97532 202.7
[M-H]- 408.97882 189.8
[M+NH4]+ 428.01992 199.5
[M+K]+ 448.94926 193.4
[M+H-H2O]+ 392.98336 178.8
[M+HCOO]- 454.98430 192.2
[M+CH3COO]- 468.99995 196.9
[M+Na-2H]- 430.96077 193.0
[M]+ 409.98555 193.0
[M]- 409.98665 193.0
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