CID 637858

Piperlongumine

Structural Information

Molecular Formula
C17H19NO5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O
InChI
InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
InChIKey
VABYUUZNAVQNPG-BQYQJAHWSA-N
Compound name
1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

343
References

971
Patents

317.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 173.2
[M+Na]+ 340.11552 185.3
[M+NH4]+ 335.16012 178.6
[M+K]+ 356.08946 179.6
[M-H]- 316.11902 174.7
[M+Na-2H]- 338.10097 178.1
[M]+ 317.12575 175.1
[M]- 317.12685 175.1
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