CID 117072582

Beta-hydroxythiofentanyl

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂S

SMILES

CCC(=O)N(C1CCN(CC1)CC(C2=CC=CS2)O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3

InChIKey

GLAAETOTOUGGSB-UHFFFAOYSA-N

Compound name

N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 358.1715 Da
Monoisotopic Mass: 2.9
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]+	359.178776	186.3
[M+Na]+	381.160718	188.2
[M-H]-	357.164224	193.4
[M+NH4]+	376.205323	198.8
[M+K]+	397.134658	184.4
[M+H-H2O]+	341.168760	177.4
[M+HCOO]-	403.169701	199.0
[M+CH3COO]-	417.185351	214.1
[M+Na-2H]-	379.146166	182.4
[M]+	358.17095142	184.4
[M]-	358.17204858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe