CID 3056178

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

Structural Information

Molecular Formula
C17H23N3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CN3CCCC3)OC
InChI
InChI=1S/C17H23N3O5/c1-4-24-15-13(22-2)9-12(10-14(15)23-3)16-18-20(17(21)25-16)11-19-7-5-6-8-19/h9-10H,4-8,11H2,1-3H3
InChIKey
CCJTZZOIJAGSCX-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.16376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17104 178.9
[M+Na]+ 372.15298 187.2
[M-H]- 348.15648 186.2
[M+NH4]+ 367.19758 190.3
[M+K]+ 388.12692 185.9
[M+H-H2O]+ 332.16102 169.7
[M+HCOO]- 394.16196 198.4
[M+CH3COO]- 408.17761 211.3
[M+Na-2H]- 370.13843 177.4
[M]+ 349.16321 185.6
[M]- 349.16431 185.6
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.