CID 638024

Piperine

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
InChIKey
MXXWOMGUGJBKIW-YPCIICBESA-N
Compound name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1147
References

16601
Patents

285.1365 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.9
[M+Na]+ 308.12572 172.2
[M-H]- 284.12922 173.7
[M+NH4]+ 303.17032 181.6
[M+K]+ 324.09966 169.9
[M+H-H2O]+ 268.13376 160.0
[M+HCOO]- 330.13470 183.0
[M+CH3COO]- 344.15035 196.7
[M+Na-2H]- 306.11117 170.0
[M]+ 285.13595 165.1
[M]- 285.13705 165.1
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