CID 527024

N-methylfentanyl

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CCC(=O)N(C1CCN(CC1)C)C2=CC=CC=C2

InChI

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

InChIKey

PCMUWYHREXSXFM-UHFFFAOYSA-N

Compound name

N-(1-methylpiperidin-4-yl)-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 246.17322 Da
Monoisotopic Mass: 2.1
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	159.4
[M+Na]+	269.162438	162.7
[M-H]-	245.165944	164.8
[M+NH4]+	264.207043	175.1
[M+K]+	285.136378	160.8
[M+H-H2O]+	229.170480	150.5
[M+HCOO]-	291.171421	178.7
[M+CH3COO]-	305.187071	199.5
[M+Na-2H]-	267.147886	161.7
[M]+	246.17267142	155.9
[M]-	246.17376858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe