CID 3039172

Brn 1008774

Structural Information

Molecular Formula
C12H11N3O4
SMILES
COC1=CC=CC(=C1)C2=NC(=C(O2)C(=O)N)C(=O)N
InChI
InChI=1S/C12H11N3O4/c1-18-7-4-2-3-6(5-7)12-15-8(10(13)16)9(19-12)11(14)17/h2-5H,1H3,(H2,13,16)(H2,14,17)
InChIKey
GQWZNTORZMASAA-UHFFFAOYSA-N
Compound name
2-(3-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]+ 262.082226 156.8
[M+Na]+ 284.064168 164.8
[M-H]- 260.067674 163.1
[M+NH4]+ 279.108773 171.4
[M+K]+ 300.038108 163.7
[M+H-H2O]+ 244.072210 148.9
[M+HCOO]- 306.073151 180.4
[M+CH3COO]- 320.088801 199.8
[M+Na-2H]- 282.049616 158.6
[M]+ 261.07440142 157.9
[M]- 261.07549858 157.9
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.