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]+	262.126016	161.8
[M+Na]+	284.107958	167.7
[M-H]-	260.111464	168.5
[M+NH4]+	279.152563	180.5
[M+K]+	300.081898	164.3
[M+H-H2O]+	244.116000	155.1
[M+HCOO]-	306.116941	180.3
[M+CH3COO]-	320.132591	196.7
[M+Na-2H]-	282.093406	164.0
[M]+	261.11819142	164.1
[M]-	261.11928858	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.