CID 3039164

4,5-oxazoledicarboxamide, 2-(4-methylphenyl)-

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC1=CC=C(C=C1)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C12H11N3O3/c1-6-2-4-7(5-3-6)12-15-8(10(13)16)9(18-12)11(14)17/h2-5H,1H3,(H2,13,16)(H2,14,17)
InChIKey
MZWKHPSEVFMOIV-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.08005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.087326 154.4
[M+Na]+ 268.069268 162.6
[M-H]- 244.072774 160.7
[M+NH4]+ 263.113873 169.8
[M+K]+ 284.043208 160.9
[M+H-H2O]+ 228.077310 146.7
[M+HCOO]- 290.078251 177.8
[M+CH3COO]- 304.093901 197.5
[M+Na-2H]- 266.054716 156.1
[M]+ 245.07950142 154.1
[M]- 245.08059858 154.1
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