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]+ 290.113536 160.5
[M+Na]+ 312.095478 169.2
[M-H]- 288.098984 169.8
[M+NH4]+ 307.140083 173.8
[M+K]+ 328.069418 169.7
[M+H-H2O]+ 272.103520 153.9
[M+HCOO]- 334.104461 178.1
[M+CH3COO]- 348.120111 172.8
[M+Na-2H]- 310.080926 160.7
[M]+ 289.10571142 163.5
[M]- 289.10680858 163.5
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.