CID 32938

Allylprodine

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

CCC(=O)OC1(CCN(CC1CC=C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H25NO2/c1-4-9-16-14-19(3)13-12-18(16,21-17(20)5-2)15-10-7-6-8-11-15/h4,6-8,10-11,16H,1,5,9,12-14H2,2-3H3

InChIKey

KGYFOSCXVAXULR-UHFFFAOYSA-N

Compound name

(1-methyl-4-phenyl-3-prop-2-enylpiperidin-4-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 8643
Patents: 287.18854 Da
Monoisotopic Mass: 3.0
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]+	288.195816	170.2
[M+Na]+	310.177758	175.1
[M-H]-	286.181264	174.5
[M+NH4]+	305.222363	186.3
[M+K]+	326.151698	171.6
[M+H-H2O]+	270.185800	162.1
[M+HCOO]-	332.186741	187.5
[M+CH3COO]-	346.202391	202.1
[M+Na-2H]-	308.163206	171.7
[M]+	287.18799142	168.8
[M]-	287.18908858	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe