CID 2302632

N-(2,3-dimethylphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H13NOS
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=CC=CS2)C
InChI
InChI=1S/C13H13NOS/c1-9-5-3-6-11(10(9)2)14-13(15)12-7-4-8-16-12/h3-8H,1-2H3,(H,14,15)
InChIKey
UQQWMPABSUZYGP-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 151.2
[M+Na]+ 254.06102 159.8
[M-H]- 230.06452 158.8
[M+NH4]+ 249.10562 171.6
[M+K]+ 270.03496 155.7
[M+H-H2O]+ 214.06906 144.9
[M+HCOO]- 276.07000 172.0
[M+CH3COO]- 290.08565 191.1
[M+Na-2H]- 252.04647 152.1
[M]+ 231.07125 153.3
[M]- 231.07235 153.3
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

No patent data available for this compound.