CID 91968

2,3-dichloro-1-(methylamino)-4-aminoanthraquinone

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
CNC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c1-19-13-9-8(12(18)10(16)11(13)17)14(20)6-4-2-3-5-7(6)15(9)21/h2-5,19H,18H2,1H3
InChIKey
JJCGKOMDEFIBJK-UHFFFAOYSA-N
Compound name
1-amino-2,3-dichloro-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01193 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01921 166.0
[M+Na]+ 343.00115 182.1
[M+NH4]+ 338.04575 175.3
[M+K]+ 358.97509 173.3
[M-H]- 319.00465 170.5
[M+Na-2H]- 340.98660 171.7
[M]+ 320.01138 170.3
[M]- 320.01248 170.3
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

No patent data available for this compound.