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]+ 364.186676 185.2
[M+Na]+ 386.168618 192.4
[M-H]- 362.172124 191.7
[M+NH4]+ 381.213223 194.0
[M+K]+ 402.142558 190.5
[M+H-H2O]+ 346.176660 174.5
[M+HCOO]- 408.177601 202.1
[M+CH3COO]- 422.193251 214.7
[M+Na-2H]- 384.154066 184.8
[M]+ 363.17885142 189.9
[M]- 363.17994858 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.