CID 26649

Mebeverine alcohol

Structural Information

Molecular Formula

C₁₆H₂₇NO₂

SMILES

CCN(CCCCO)C(C)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3

InChIKey

ZGZAPRVKIAFOPL-UHFFFAOYSA-N

Compound name

4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 1
Patents: 265.2042 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]+	266.211476	167.5
[M+Na]+	288.193418	171.4
[M-H]-	264.196924	170.2
[M+NH4]+	283.238023	183.9
[M+K]+	304.167358	169.7
[M+H-H2O]+	248.201460	160.1
[M+HCOO]-	310.202401	189.2
[M+CH3COO]-	324.218051	204.1
[M+Na-2H]-	286.178866	169.0
[M]+	265.20365142	171.2
[M]-	265.20474858	171.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.