CID 3056184

5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-1,3,4-oxadiazol-2(3h)-one

Structural Information

Molecular Formula
C13H16N2O6
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CO)OC
InChI
InChI=1S/C13H16N2O6/c1-4-20-11-9(18-2)5-8(6-10(11)19-3)12-14-15(7-16)13(17)21-12/h5-6,16H,4,7H2,1-3H3
InChIKey
ISBBWXGPIICPDJ-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10083 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10811 165.2
[M+Na]+ 319.09005 177.6
[M+NH4]+ 314.13465 169.7
[M+K]+ 335.06399 175.8
[M-H]- 295.09355 166.5
[M+Na-2H]- 317.07550 169.1
[M]+ 296.10028 167.1
[M]- 296.10138 167.1
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

No patent data available for this compound.