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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.022276 137.9
[M+Na]+ 217.004218 148.8
[M-H]- 193.007724 145.4
[M+NH4]+ 212.048823 158.6
[M+K]+ 232.978158 147.4
[M+H-H2O]+ 177.012260 132.2
[M+HCOO]- 239.013201 160.2
[M+CH3COO]- 253.028851 152.9
[M+Na-2H]- 214.989666 140.2
[M]+ 194.01445142 141.8
[M]- 194.01554858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe