CID 10467115

(?)-cis-3-methyl norfentanyl

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CCC(=O)N(C1CCNCC1C)C2=CC=CC=C2

InChI

InChI=1S/C15H22N2O/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-10-16-11-12(14)2/h4-8,12,14,16H,3,9-11H2,1-2H3

InChIKey

REORAZISQPSCHR-UHFFFAOYSA-N

Compound name

N-(3-methylpiperidin-4-yl)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 246.17322 Da
Monoisotopic Mass: 2.3
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]+	247.180496	159.7
[M+Na]+	269.162438	162.6
[M-H]-	245.165944	163.7
[M+NH4]+	264.207043	174.8
[M+K]+	285.136378	159.8
[M+H-H2O]+	229.170480	151.2
[M+HCOO]-	291.171421	177.6
[M+CH3COO]-	305.187071	196.9
[M+Na-2H]-	267.147886	161.6
[M]+	246.17267142	154.4
[M]-	246.17376858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe