CID 3056169

1,3,4-oxadiazol-2(3h)-one, 5-(1,3-benzodioxol-5-yl)-3-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C14H15N3O5
SMILES
C1COCCN1CN2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C14H15N3O5/c18-14-17(8-16-3-5-19-6-4-16)15-13(22-14)10-1-2-11-12(7-10)21-9-20-11/h1-2,7H,3-6,8-9H2
InChIKey
REKCXVIGTCCHNP-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.10117 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10845 165.6
[M+Na]+ 328.09039 178.4
[M+NH4]+ 323.13499 171.7
[M+K]+ 344.06433 178.7
[M-H]- 304.09389 173.2
[M+Na-2H]- 326.07584 168.7
[M]+ 305.10062 169.5
[M]- 305.10172 169.5
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.