CID 162172

Noralfentanil

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC

InChI

InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3

InChIKey

ULOZGJWEIWAWML-UHFFFAOYSA-N

Compound name

N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 70
Patents: 276.18378 Da
Monoisotopic Mass: 1.8
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]+	277.19106	167.4
[M+Na]+	299.17300	169.8
[M-H]-	275.17650	171.2
[M+NH4]+	294.21760	182.9
[M+K]+	315.14694	167.7
[M+H-H2O]+	259.18104	158.9
[M+HCOO]-	321.18198	185.1
[M+CH3COO]-	335.19763	200.4
[M+Na-2H]-	297.15845	170.5
[M]+	276.18323	163.8
[M]-	276.18433	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe