CID 26929

Decimemide

Structural Information

Molecular Formula

C₁₉H₃₁NO₄

SMILES

CCCCCCCCCCOC1=C(C=C(C=C1OC)C(=O)N)OC

InChI

InChI=1S/C19H31NO4/c1-4-5-6-7-8-9-10-11-12-24-18-16(22-2)13-15(19(20)21)14-17(18)23-3/h13-14H,4-12H2,1-3H3,(H2,20,21)

InChIKey

REYUZOLYIOQRIG-UHFFFAOYSA-N

Compound name

4-decoxy-3,5-dimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1167
Patents: 337.2253 Da
Monoisotopic Mass: 5.2
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]+	338.23258	184.6
[M+Na]+	360.21452	189.3
[M-H]-	336.21802	186.7
[M+NH4]+	355.25912	198.1
[M+K]+	376.18846	186.8
[M+H-H2O]+	320.22256	176.6
[M+HCOO]-	382.22350	206.2
[M+CH3COO]-	396.23915	217.3
[M+Na-2H]-	358.19997	183.4
[M]+	337.22475	191.9
[M]-	337.22585	191.9

Literature stripe

literature stripe

Patent stripe

patents stripe