CID 3056177

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

Structural Information

Molecular Formula
C17H23N3O6
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CN3CCOCC3)OC
InChI
InChI=1S/C17H23N3O6/c1-4-25-15-13(22-2)9-12(10-14(15)23-3)16-18-20(17(21)26-16)11-19-5-7-24-8-6-19/h9-10H,4-8,11H2,1-3H3
InChIKey
JGFSEVFDPNZCTI-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16598 184.2
[M+Na]+ 388.14792 191.8
[M-H]- 364.15142 191.5
[M+NH4]+ 383.19252 191.5
[M+K]+ 404.12186 191.6
[M+H-H2O]+ 348.15596 173.8
[M+HCOO]- 410.15690 200.6
[M+CH3COO]- 424.17255 214.3
[M+Na-2H]- 386.13337 184.8
[M]+ 365.15815 190.6
[M]- 365.15925 190.6
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.