CID 3039256

42739-94-6

Structural Information

Molecular Formula

C₁₅H₁₉NOS

SMILES

CN(C)CCC(C1=CC=CC=C1)(C2=CC=CS2)O

InChI

InChI=1S/C15H19NOS/c1-16(2)11-10-15(17,14-9-6-12-18-14)13-7-4-3-5-8-13/h3-9,12,17H,10-11H2,1-2H3

InChIKey

UPBQYMMDGOUPSX-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.11874 Da
Monoisotopic Mass: 2.7
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]+	262.12602	161.6
[M+Na]+	284.10796	172.3
[M+NH4]+	279.15256	170.6
[M+K]+	300.08190	165.5
[M-H]-	260.11146	165.8
[M+Na-2H]-	282.09341	169.2
[M]+	261.11819	164.8
[M]-	261.11929	164.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.