CID 3039163

4,5-oxazoledicarboxamide, 2-phenyl-

Structural Information

Molecular Formula
C11H9N3O3
SMILES
C1=CC=C(C=C1)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C11H9N3O3/c12-9(15)7-8(10(13)16)17-11(14-7)6-4-2-1-3-5-6/h1-5H,(H2,12,15)(H2,13,16)
InChIKey
OVOKOMJWMJIADQ-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

231.06439 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.071666 149.5
[M+Na]+ 254.053608 157.2
[M-H]- 230.057114 155.5
[M+NH4]+ 249.098213 165.1
[M+K]+ 270.027548 155.7
[M+H-H2O]+ 214.061650 141.7
[M+HCOO]- 276.062591 173.2
[M+CH3COO]- 290.078241 193.2
[M+Na-2H]- 252.039056 152.4
[M]+ 231.06384142 148.4
[M]- 231.06493858 148.4
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