CID 3056163

73484-47-6

Structural Information

Molecular Formula
C16H13N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)O3)CNC4=CC=CC=C4
InChI
InChI=1S/C16H13N3O4/c20-16-19(9-17-12-4-2-1-3-5-12)18-15(23-16)11-6-7-13-14(8-11)22-10-21-13/h1-8,17H,9-10H2
InChIKey
CYORWRAZWKGSRK-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 167.8
[M+Na]+ 334.07982 182.0
[M+NH4]+ 329.12442 174.8
[M+K]+ 350.05376 180.5
[M-H]- 310.08332 176.3
[M+Na-2H]- 332.06527 174.3
[M]+ 311.09005 172.2
[M]- 311.09115 172.2
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.