CID 3056168

73484-52-3

Structural Information

Molecular Formula
C15H17N3O4
SMILES
C1CCN(CC1)CN2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C15H17N3O4/c19-15-18(9-17-6-2-1-3-7-17)16-14(22-15)11-4-5-12-13(8-11)21-10-20-12/h4-5,8H,1-3,6-7,9-10H2
InChIKey
PNFYSRCBCCPWOW-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 166.4
[M+Na]+ 326.11114 174.0
[M-H]- 302.11464 174.8
[M+NH4]+ 321.15574 177.2
[M+K]+ 342.08508 173.7
[M+H-H2O]+ 286.11918 157.9
[M+HCOO]- 348.12012 181.3
[M+CH3COO]- 362.13577 177.5
[M+Na-2H]- 324.09659 167.9
[M]+ 303.12137 167.3
[M]- 303.12247 167.3
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.