CID 3056601

73812-21-2

Structural Information

Molecular Formula

C₁₃H₁₃NOS

SMILES

C1=CC=C(C=C1)CC(C2=CSC=C2)C(=O)N

InChI

InChI=1S/C13H13NOS/c14-13(15)12(11-6-7-16-9-11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H2,14,15)

InChIKey

ICXBUDKIJVIGKR-UHFFFAOYSA-N

Compound name

3-phenyl-2-thiophen-3-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 231.0718 Da
Monoisotopic Mass: 2.4
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]+	232.07908	151.5
[M+Na]+	254.06102	162.3
[M+NH4]+	249.10562	160.6
[M+K]+	270.03496	155.7
[M-H]-	230.06452	155.8
[M+Na-2H]-	252.04647	158.8
[M]+	231.07125	154.6
[M]-	231.07235	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe