CID 3056176

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

Structural Information

Molecular Formula
C18H25N3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CN3CCCCC3)OC
InChI
InChI=1S/C18H25N3O5/c1-4-25-16-14(23-2)10-13(11-15(16)24-3)17-19-21(18(22)26-17)12-20-8-6-5-7-9-20/h10-11H,4-9,12H2,1-3H3
InChIKey
HFAVZCOBNYATFE-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1794 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18668 185.2
[M+Na]+ 386.16862 192.4
[M-H]- 362.17212 191.7
[M+NH4]+ 381.21322 194.0
[M+K]+ 402.14256 190.5
[M+H-H2O]+ 346.17666 174.5
[M+HCOO]- 408.17760 202.1
[M+CH3COO]- 422.19325 214.7
[M+Na-2H]- 384.15407 184.8
[M]+ 363.17885 189.9
[M]- 363.17995 189.9
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.