CID 80833

6408-45-3

Structural Information

Molecular Formula
C20H20N2O2
SMILES
C1CCC(CC1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H20N2O2/c21-15-10-11-16(22-12-6-2-1-3-7-12)18-17(15)19(23)13-8-4-5-9-14(13)20(18)24/h4-5,8-12,22H,1-3,6-7,21H2
InChIKey
KXKQOXULEPSPIU-UHFFFAOYSA-N
Compound name
1-amino-4-(cyclohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

320.15247 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 172.4
[M+Na]+ 343.14169 178.2
[M-H]- 319.14519 179.5
[M+NH4]+ 338.18629 187.6
[M+K]+ 359.11563 172.3
[M+H-H2O]+ 303.14973 163.6
[M+HCOO]- 365.15067 190.4
[M+CH3COO]- 379.16632 182.2
[M+Na-2H]- 341.12714 176.1
[M]+ 320.15192 166.3
[M]- 320.15302 166.3
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.