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 174.4
[M+Na]+ 358.13735 183.2
[M-H]- 334.14085 181.9
[M+NH4]+ 353.18195 186.4
[M+K]+ 374.11129 182.1
[M+H-H2O]+ 318.14539 165.4
[M+HCOO]- 380.14633 194.3
[M+CH3COO]- 394.16198 208.4
[M+Na-2H]- 356.12280 173.5
[M]+ 335.14758 180.8
[M]- 335.14868 180.8
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.