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 162.2
[M+Na]+ 319.09005 172.8
[M-H]- 295.09355 167.0
[M+NH4]+ 314.13465 175.2
[M+K]+ 335.06399 172.0
[M+H-H2O]+ 279.09809 154.2
[M+HCOO]- 341.09903 183.9
[M+CH3COO]- 355.11468 199.8
[M+Na-2H]- 317.07550 165.2
[M]+ 296.10028 171.3
[M]- 296.10138 171.3
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.