CID 3486942

2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C18H16N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H16N2O6/c1-21-14-7-11(8-15(22-2)16(14)23-3)18-20-19-17(26-18)10-4-5-12-13(6-10)25-9-24-12/h4-8H,9H2,1-3H3
InChIKey
JQSHNEIWZVXMRS-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10083 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10811 178.8
[M+Na]+ 379.09005 193.5
[M+NH4]+ 374.13465 185.1
[M+K]+ 395.06399 192.7
[M-H]- 355.09355 186.5
[M+Na-2H]- 377.07550 183.8
[M]+ 356.10028 183.2
[M]- 356.10138 183.2
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.