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 168.6
[M+Na]+ 343.00115 181.4
[M-H]- 319.00465 173.9
[M+NH4]+ 338.04575 186.7
[M+K]+ 358.97509 174.2
[M+H-H2O]+ 303.00919 164.1
[M+HCOO]- 365.01013 181.8
[M+CH3COO]- 379.02578 180.8
[M+Na-2H]- 340.98660 172.5
[M]+ 320.01138 172.3
[M]- 320.01248 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.