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

74
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

literature stripe

Patent stripe

patents stripe