CID 15129

Noracymethadol

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3

InChIKey

VWCUGCYZZGRKEE-UHFFFAOYSA-N

Compound name

[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 28
References: 1006
Patents: 339.21982 Da
Monoisotopic Mass: 3.8
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]+	340.22710	186.1
[M+Na]+	362.20904	188.0
[M-H]-	338.21254	191.3
[M+NH4]+	357.25364	198.5
[M+K]+	378.18298	184.9
[M+H-H2O]+	322.21708	177.5
[M+HCOO]-	384.21802	204.7
[M+CH3COO]-	398.23367	216.3
[M+Na-2H]-	360.19449	187.4
[M]+	339.21927	186.9
[M]-	339.22037	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe