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

0
Patents

245.08005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 154.4
[M+Na]+ 268.06927 162.6
[M-H]- 244.07277 160.7
[M+NH4]+ 263.11387 169.8
[M+K]+ 284.04321 160.9
[M+H-H2O]+ 228.07731 146.7
[M+HCOO]- 290.07825 177.8
[M+CH3COO]- 304.09390 197.5
[M+Na-2H]- 266.05472 156.1
[M]+ 245.07950 154.1
[M]- 245.08060 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