CID 3056164

73484-48-7

Structural Information

Molecular Formula
C17H15N3O5
SMILES
COC1=CC=CC=C1NCN2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H15N3O5/c1-22-13-5-3-2-4-12(13)18-9-20-17(21)25-16(19-20)11-6-7-14-15(8-11)24-10-23-14/h2-8,18H,9-10H2,1H3
InChIKey
TVJDFLXUIOAGET-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-3-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10117 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 174.7
[M+Na]+ 364.09039 184.1
[M-H]- 340.09389 185.9
[M+NH4]+ 359.13499 185.4
[M+K]+ 380.06433 183.8
[M+H-H2O]+ 324.09843 166.7
[M+HCOO]- 386.09937 195.7
[M+CH3COO]- 400.11502 186.9
[M+Na-2H]- 362.07584 178.8
[M]+ 341.10062 181.3
[M]- 341.10172 181.3
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.