CID 16041827

Piperchabamide d

Structural Information

Molecular Formula

C₂₂H₃₁NO₃

SMILES

CC(C)CNC(=O)/C=C/CCCCCC/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C22H31NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h9-15,18H,3-8,16-17H2,1-2H3,(H,23,24)/b11-9+,12-10+

InChIKey

DOGZABSTLUIXJO-WGDLNXRISA-N

Compound name

(2E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,10-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10
Patents: 357.2304 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.237676	196.0
[M+Na]+	380.219618	198.6
[M-H]-	356.223124	199.7
[M+NH4]+	375.264223	208.5
[M+K]+	396.193558	195.6
[M+H-H2O]+	340.227660	188.5
[M+HCOO]-	402.228601	213.6
[M+CH3COO]-	416.244251	217.8
[M+Na-2H]-	378.205066	195.6
[M]+	357.22985142	200.0
[M]-	357.23094858	200.0

Literature stripe

literature stripe

Patent stripe

patents stripe