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

literature stripe

Patent stripe

patents stripe