CID 710671

N-(2,4-dimethoxyphenyl)-2-thiophenecarboxamide

Structural Information

Molecular Formula
C13H13NO3S
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)OC
InChI
InChI=1S/C13H13NO3S/c1-16-9-5-6-10(11(8-9)17-2)14-13(15)12-4-3-7-18-12/h3-8H,1-2H3,(H,14,15)
InChIKey
UHNUTKSGBGCROH-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.0616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.068876 158.0
[M+Na]+ 286.050818 166.1
[M-H]- 262.054324 165.5
[M+NH4]+ 281.095423 176.8
[M+K]+ 302.024758 163.2
[M+H-H2O]+ 246.058860 151.3
[M+HCOO]- 308.059801 179.2
[M+CH3COO]- 322.075451 195.2
[M+Na-2H]- 284.036266 159.2
[M]+ 263.06105142 162.9
[M]- 263.06214858 162.9
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