CID 3026899

9,10-anthracenedione, 1-((6-aminohexyl)amino)-

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCN
InChI
InChI=1S/C20H22N2O2/c21-12-5-1-2-6-13-22-17-11-7-10-16-18(17)20(24)15-9-4-3-8-14(15)19(16)23/h3-4,7-11,22H,1-2,5-6,12-13,21H2
InChIKey
NIVJPFDJZYTZMA-UHFFFAOYSA-N
Compound name
1-(6-aminohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

322.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.2
[M+Na]+ 345.15734 189.7
[M+NH4]+ 340.20194 185.2
[M+K]+ 361.13128 180.7
[M-H]- 321.16084 181.4
[M+Na-2H]- 343.14279 182.0
[M]+ 322.16757 180.0
[M]- 322.16867 180.0
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