CID 238958

2-piperidinoanthraquinone

Structural Information

Molecular Formula
C19H17NO2
SMILES
C1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H17NO2/c21-18-14-6-2-3-7-15(14)19(22)17-12-13(8-9-16(17)18)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2
InChIKey
ZBKREKXRZLODLG-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

291.12592 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 166.9
[M+Na]+ 314.11514 173.9
[M-H]- 290.11864 173.1
[M+NH4]+ 309.15974 182.5
[M+K]+ 330.08908 168.0
[M+H-H2O]+ 274.12318 157.3
[M+HCOO]- 336.12412 182.5
[M+CH3COO]- 350.13977 177.3
[M+Na-2H]- 312.10059 171.3
[M]+ 291.12537 162.5
[M]- 291.12647 162.5
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.