CID 24859007

5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

Structural Information

Molecular Formula

C₈H₆N₂O₂S

SMILES

C1=CSC(=C1)C2=CC(=NO2)C(=O)N

InChI

InChI=1S/C8H6N2O2S/c9-8(11)5-4-6(12-10-5)7-2-1-3-13-7/h1-4H,(H2,9,11)

InChIKey

QHUQPUCJZDGKSG-UHFFFAOYSA-N

Compound name

5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 194.015 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.02228	138.5
[M+Na]+	217.00422	149.7
[M+NH4]+	212.04882	146.7
[M+K]+	232.97816	146.8
[M-H]-	193.00772	142.5
[M+Na-2H]-	214.98967	144.6
[M]+	194.01445	141.5
[M]-	194.01555	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe