CID 3039168

Brn 1008785

Structural Information

Molecular Formula
C12H11N3O4
SMILES
COC1=CC=C(C=C1)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C12H11N3O4/c1-18-7-4-2-6(3-5-7)12-15-8(10(13)16)9(19-12)11(14)17/h2-5H,1H3,(H2,13,16)(H2,14,17)
InChIKey
OCHCYYAMTRZGLE-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.07495 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08223 157.5
[M+Na]+ 284.06417 167.3
[M+NH4]+ 279.10877 162.7
[M+K]+ 300.03811 166.5
[M-H]- 260.06767 160.5
[M+Na-2H]- 282.04962 161.7
[M]+ 261.07440 159.2
[M]- 261.07550 159.2
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

No patent data available for this compound.