CID 2778719

175202-40-1

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CC=NC(=C1)C2=CC=C(S2)C(=O)N
InChI
InChI=1S/C10H8N2OS/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
InChIKey
BPSZHKPVINNIBN-UHFFFAOYSA-N
Compound name
5-pyridin-2-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
Patents

204.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 141.9
[M+Na]+ 227.024958 150.9
[M-H]- 203.028464 147.7
[M+NH4]+ 222.069563 161.4
[M+K]+ 242.998898 147.1
[M+H-H2O]+ 187.033000 135.0
[M+HCOO]- 249.033941 161.9
[M+CH3COO]- 263.049591 155.3
[M+Na-2H]- 225.010406 144.0
[M]+ 204.03519142 142.1
[M]- 204.03628858 142.1
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