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]+ 262.08223 156.8
[M+Na]+ 284.06417 164.8
[M-H]- 260.06767 163.1
[M+NH4]+ 279.10877 171.4
[M+K]+ 300.03811 163.7
[M+H-H2O]+ 244.07221 148.9
[M+HCOO]- 306.07315 180.4
[M+CH3COO]- 320.08880 199.8
[M+Na-2H]- 282.04962 158.6
[M]+ 261.07440 157.9
[M]- 261.07550 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.