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

2
Patents

263.0616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 158.0
[M+Na]+ 286.05082 166.1
[M-H]- 262.05432 165.5
[M+NH4]+ 281.09542 176.8
[M+K]+ 302.02476 163.2
[M+H-H2O]+ 246.05886 151.3
[M+HCOO]- 308.05980 179.2
[M+CH3COO]- 322.07545 195.2
[M+Na-2H]- 284.03627 159.2
[M]+ 263.06105 162.9
[M]- 263.06215 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