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]+ 306.108446 165.4
[M+Na]+ 328.090388 173.4
[M-H]- 304.093894 174.5
[M+NH4]+ 323.134993 174.6
[M+K]+ 344.064328 174.8
[M+H-H2O]+ 288.098430 157.6
[M+HCOO]- 350.099371 179.7
[M+CH3COO]- 364.115021 176.7
[M+Na-2H]- 326.075836 167.7
[M]+ 305.10062142 168.0
[M]- 305.10171858 168.0
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.