CID 541773

5-phenyl-1,2-oxazole-3-carboxamide

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)C(=O)N
InChI
InChI=1S/C10H8N2O2/c11-10(13)8-6-9(14-12-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
InChIKey
ASVXNFGUPSDDTA-UHFFFAOYSA-N
Compound name
5-phenyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

188.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.7
[M+Na]+ 211.04780 146.1
[M-H]- 187.05130 143.9
[M+NH4]+ 206.09240 155.7
[M+K]+ 227.02174 144.6
[M+H-H2O]+ 171.05584 130.4
[M+HCOO]- 233.05678 162.1
[M+CH3COO]- 247.07243 181.9
[M+Na-2H]- 209.03325 143.6
[M]+ 188.05803 137.5
[M]- 188.05913 137.5
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