CID 314146

5-nitro-n-pyridin-3-ylthiophene-2-carboxamide

Structural Information

Molecular Formula
C10H7N3O3S
SMILES
C1=CC(=CN=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O3S/c14-10(12-7-2-1-5-11-6-7)8-3-4-9(17-8)13(15)16/h1-6H,(H,12,14)
InChIKey
IVMMYCGLUCFHEN-UHFFFAOYSA-N
Compound name
5-nitro-N-pyridin-3-ylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

249.02081 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02809 150.2
[M+Na]+ 272.01003 156.8
[M-H]- 248.01353 156.2
[M+NH4]+ 267.05463 166.6
[M+K]+ 287.98397 149.6
[M+H-H2O]+ 232.01807 147.0
[M+HCOO]- 294.01901 171.6
[M+CH3COO]- 308.03466 184.7
[M+Na-2H]- 269.99548 155.3
[M]+ 249.02026 149.1
[M]- 249.02136 149.1
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

No patent data available for this compound.