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]+ 297.108106 162.2
[M+Na]+ 319.090048 172.8
[M-H]- 295.093554 167.0
[M+NH4]+ 314.134653 175.2
[M+K]+ 335.063988 172.0
[M+H-H2O]+ 279.098090 154.2
[M+HCOO]- 341.099031 183.9
[M+CH3COO]- 355.114681 199.8
[M+Na-2H]- 317.075496 165.2
[M]+ 296.10028142 171.3
[M]- 296.10137858 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.