CID 70669

1-(cyclohexylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C20H19NO2
SMILES
C1CCC(CC1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H19NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h4-6,9-13,21H,1-3,7-8H2
InChIKey
BWQIGAJDKXZJTG-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

322
Patents

305.14157 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.148846 168.7
[M+Na]+ 328.130788 174.4
[M-H]- 304.134294 176.0
[M+NH4]+ 323.175393 184.8
[M+K]+ 344.104728 168.5
[M+H-H2O]+ 288.138830 159.8
[M+HCOO]- 350.139771 186.3
[M+CH3COO]- 364.155421 178.9
[M+Na-2H]- 326.116236 173.3
[M]+ 305.14102142 163.6
[M]- 305.14211858 163.6
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