CID 765411

N-(2-ethylphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H13NOS
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC=CS2
InChI
InChI=1S/C13H13NOS/c1-2-10-6-3-4-7-11(10)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKey
LASXMVKOHAACLF-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

231.0718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07908 151.6
[M+Na]+ 254.06102 159.3
[M-H]- 230.06452 158.8
[M+NH4]+ 249.10562 171.6
[M+K]+ 270.03496 155.2
[M+H-H2O]+ 214.06906 145.0
[M+HCOO]- 276.07000 172.4
[M+CH3COO]- 290.08565 190.0
[M+Na-2H]- 252.04647 153.2
[M]+ 231.07125 153.2
[M]- 231.07235 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe