CID 3056170

73484-54-5

Structural Information

Molecular Formula
C14H15N3O4
SMILES
C1CCN(C1)CN2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C14H15N3O4/c18-14-17(8-16-5-1-2-6-16)15-13(21-14)10-3-4-11-12(7-10)20-9-19-11/h3-4,7H,1-2,5-6,8-9H2
InChIKey
WMBAOCMRTUYZCA-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.10626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11354 160.9
[M+Na]+ 312.09548 172.8
[M+NH4]+ 307.14008 167.6
[M+K]+ 328.06942 174.6
[M-H]- 288.09898 167.1
[M+Na-2H]- 310.08093 164.4
[M]+ 289.10571 164.2
[M]- 289.10681 164.2
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.