CID 88212

19721-24-5

Structural Information

Molecular Formula
C14H9Cl2N3O3
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C(=C3N)Cl)Cl)N)O
InChI
InChI=1S/C14H9Cl2N3O3/c15-9-10(16)12(19)8-7(11(9)18)13(21)5-3(17)1-2-4(20)6(5)14(8)22/h1-2,20H,17-19H2
InChIKey
PRRRMBDHOGEKOZ-UHFFFAOYSA-N
Compound name
1,4,5-triamino-2,3-dichloro-8-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.0021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.009376 173.6
[M+Na]+ 359.991318 187.0
[M-H]- 335.994824 177.4
[M+NH4]+ 355.035923 189.9
[M+K]+ 375.965258 180.0
[M+H-H2O]+ 319.999360 170.0
[M+HCOO]- 382.000301 185.5
[M+CH3COO]- 396.015951 217.9
[M+Na-2H]- 357.976766 174.6
[M]+ 337.00155142 175.1
[M]- 337.00264858 175.1
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