CID 11971078

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

Structural Information

Molecular Formula
C20H22N2O7
SMILES
COC1=C(C(=C(C=C1)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)OC
InChI
InChI=1S/C20H22N2O7/c1-23-13-8-7-12(16(26-4)18(13)28-6)20-22-21-19(29-20)11-9-14(24-2)17(27-5)15(10-11)25-3/h7-10H,1-6H3
InChIKey
GMWSYYILQAPQFD-UHFFFAOYSA-N
Compound name
2-(2,3,4-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1427 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14998 194.6
[M+Na]+ 425.13192 209.3
[M+NH4]+ 420.17652 199.2
[M+K]+ 441.10586 206.1
[M-H]- 401.13542 199.2
[M+Na-2H]- 423.11737 200.6
[M]+ 402.14215 198.0
[M]- 402.14325 198.0
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.