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

0
Patents

231.06439 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 149.5
[M+Na]+ 254.05361 157.2
[M-H]- 230.05711 155.5
[M+NH4]+ 249.09821 165.1
[M+K]+ 270.02755 155.7
[M+H-H2O]+ 214.06165 141.7
[M+HCOO]- 276.06259 173.2
[M+CH3COO]- 290.07824 193.2
[M+Na-2H]- 252.03906 152.4
[M]+ 231.06384 148.4
[M]- 231.06494 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