CID 3056187

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

Structural Information

Molecular Formula
C16H21N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CN3CCCC3
InChI
InChI=1S/C16H21N3O5/c1-21-12-8-11(9-13(22-2)14(12)23-3)15-17-19(16(20)24-15)10-18-6-4-5-7-18/h8-9H,4-7,10H2,1-3H3
InChIKey
WOFNEBNHRYXPKG-UHFFFAOYSA-N
Compound name
3-(pyrrolidin-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.14813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15541 176.8
[M+Na]+ 358.13735 188.5
[M+NH4]+ 353.18195 181.7
[M+K]+ 374.11129 187.9
[M-H]- 334.14085 179.8
[M+Na-2H]- 356.12280 181.1
[M]+ 335.14758 179.0
[M]- 335.14868 179.0
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.