CID 21453688

12223-77-7

Structural Information

Molecular Formula
C20H13ClN2O3
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2Cl)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H13ClN2O3/c21-15-16(22)13-14(17(23)20(15)26-10-6-2-1-3-7-10)19(25)12-9-5-4-8-11(12)18(13)24/h1-9H,22-23H2
InChIKey
CBAZXQCRCLPTAU-UHFFFAOYSA-N
Compound name
1,4-diamino-2-chloro-3-phenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

364.06146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06874 182.3
[M+Na]+ 387.05068 199.0
[M+NH4]+ 382.09528 191.1
[M+K]+ 403.02462 189.8
[M-H]- 363.05418 189.1
[M+Na-2H]- 385.03613 189.7
[M]+ 364.06091 187.0
[M]- 364.06201 187.0
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