CID 6482975

O-methyltembamide

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(21-2)12-18-17(19)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,18,19)/t16-/m1/s1

InChIKey

GASAZUPHPROROJ-MRXNPFEDSA-N

Compound name

N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.1365 Da
Monoisotopic Mass: 2.6
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]+	286.143776	166.9
[M+Na]+	308.125718	171.8
[M-H]-	284.129224	173.2
[M+NH4]+	303.170323	181.8
[M+K]+	324.099658	169.3
[M+H-H2O]+	268.133760	158.5
[M+HCOO]-	330.134701	190.1
[M+CH3COO]-	344.150351	203.4
[M+Na-2H]-	306.111166	170.6
[M]+	285.13595142	168.9
[M]-	285.13704858	168.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.