CID 2302632

Ox1k

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 151.8
[M+Na]+ 254.06102 164.1
[M+NH4]+ 249.10562 161.2
[M+K]+ 270.03496 156.8
[M-H]- 230.06452 156.6
[M+Na-2H]- 252.04647 159.4
[M]+ 231.07125 155.4
[M]- 231.07235 155.4
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

No patent data available for this compound.