CID 12682184

4,5-dihydropiperlonguminine

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)CNC(=O)/C=C/CCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C16H21NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,17,18)/b6-4+
InChIKey
CSGDXLXTJVRNEA-GQCTYLIASA-N
Compound name
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

275.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 168.7
[M+Na]+ 298.141348 173.6
[M-H]- 274.144854 173.6
[M+NH4]+ 293.185953 184.6
[M+K]+ 314.115288 172.6
[M+H-H2O]+ 258.149390 162.3
[M+HCOO]- 320.150331 188.2
[M+CH3COO]- 334.165981 201.3
[M+Na-2H]- 296.126796 171.6
[M]+ 275.15158142 171.4
[M]- 275.15267858 171.4
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