CID 5320621

Piperlonguminine

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
InChIKey
WHAAPCGHVWVUEX-GGWOSOGESA-N
Compound name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

238
Patents

273.1365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 167.7
[M+Na]+ 296.125718 173.0
[M-H]- 272.129224 172.6
[M+NH4]+ 291.170323 183.7
[M+K]+ 312.099658 171.4
[M+H-H2O]+ 256.133760 161.4
[M+HCOO]- 318.134701 187.4
[M+CH3COO]- 332.150351 199.8
[M+Na-2H]- 294.111166 170.6
[M]+ 273.13595142 169.7
[M]- 273.13704858 169.7
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