CID 28662

17640-90-3

Structural Information

Molecular Formula

C₂₁H₃₆N₂O₃

SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CN(CC)CC)OC

InChI

InChI=1S/C21H36N2O3/c1-5-8-9-10-11-12-15-26-19-14-13-18(16-20(19)25-4)22-21(24)17-23(6-2)7-3/h13-14,16H,5-12,15,17H2,1-4H3,(H,22,24)

InChIKey

QZQDJEZXCUMIDR-UHFFFAOYSA-N

Compound name

2-(diethylamino)-N-(3-methoxy-4-octoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 364.27258 Da
Monoisotopic Mass: 5.3
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]+	365.279856	195.3
[M+Na]+	387.261798	197.6
[M-H]-	363.265304	198.6
[M+NH4]+	382.306403	208.0
[M+K]+	403.235738	195.8
[M+H-H2O]+	347.269840	186.2
[M+HCOO]-	409.270781	218.1
[M+CH3COO]-	423.286431	228.3
[M+Na-2H]-	385.247246	194.3
[M]+	364.27203142	202.9
[M]-	364.27312858	202.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe