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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07908 152.7
[M+Na]+ 254.06102 159.0
[M-H]- 230.06452 159.0
[M+NH4]+ 249.10562 171.9
[M+K]+ 270.03496 155.2
[M+H-H2O]+ 214.06906 145.9
[M+HCOO]- 276.07000 171.8
[M+CH3COO]- 290.08565 189.8
[M+Na-2H]- 252.04647 152.8
[M]+ 231.07125 152.4
[M]- 231.07235 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe