CID 790310

N-(3-methoxyphenyl)thiophene-2-carboxamide

Structural Information

Molecular Formula
C12H11NO2S
SMILES
COC1=CC=CC(=C1)NC(=O)C2=CC=CS2
InChI
InChI=1S/C12H11NO2S/c1-15-10-5-2-4-9(8-10)13-12(14)11-6-3-7-16-11/h2-8H,1H3,(H,13,14)
InChIKey
ZSPOYUQATHVQLV-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

233.05106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 150.5
[M+Na]+ 256.04028 158.5
[M-H]- 232.04378 157.9
[M+NH4]+ 251.08488 170.4
[M+K]+ 272.01422 155.2
[M+H-H2O]+ 216.04832 144.0
[M+HCOO]- 278.04926 171.9
[M+CH3COO]- 292.06491 189.0
[M+Na-2H]- 254.02573 152.8
[M]+ 233.05051 153.3
[M]- 233.05161 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

literature stripe

Patent stripe

patents stripe