CID 76529

4,11-dichloroquinacridone

Structural Information

Molecular Formula
C20H10Cl2N2O2
SMILES
C1=CC2=C(C(=C1)Cl)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=CC=C5Cl
InChI
InChI=1S/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)
InChIKey
BFEJTCHFLJECJN-UHFFFAOYSA-N
Compound name
4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

450
Patents

380.01193 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.01921 184.8
[M+Na]+ 403.00115 207.6
[M+NH4]+ 398.04575 194.7
[M+K]+ 418.97509 195.4
[M-H]- 379.00465 189.5
[M+Na-2H]- 400.98660 192.8
[M]+ 380.01138 190.5
[M]- 380.01248 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe