CID 676266

62289-82-1

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CSC(=C1)C(=O)NC2=CC=NC=C2
InChI
InChI=1S/C10H8N2OS/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8/h1-7H,(H,11,12,13)
InChIKey
RKADCAQUGVEIJY-UHFFFAOYSA-N
Compound name
N-pyridin-4-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

204.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 141.8
[M+Na]+ 227.02496 150.0
[M-H]- 203.02846 147.8
[M+NH4]+ 222.06956 161.3
[M+K]+ 242.99890 146.6
[M+H-H2O]+ 187.03300 134.7
[M+HCOO]- 249.03394 162.5
[M+CH3COO]- 263.04959 155.1
[M+Na-2H]- 225.01041 145.6
[M]+ 204.03519 142.5
[M]- 204.03629 142.5
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