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]+ 321.019206 168.6
[M+Na]+ 343.001148 181.4
[M-H]- 319.004654 173.9
[M+NH4]+ 338.045753 186.7
[M+K]+ 358.975088 174.2
[M+H-H2O]+ 303.009190 164.1
[M+HCOO]- 365.010131 181.8
[M+CH3COO]- 379.025781 180.8
[M+Na-2H]- 340.986596 172.5
[M]+ 320.01138142 172.3
[M]- 320.01247858 172.3
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.