CID 11971077

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

Structural Information

Molecular Formula
C20H22N2O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC(=C(C=C3OC)OC)OC
InChI
InChI=1S/C20H22N2O7/c1-23-13-10-15(25-3)14(24-2)9-12(13)20-22-21-19(29-20)11-7-16(26-4)18(28-6)17(8-11)27-5/h7-10H,1-6H3
InChIKey
XYUIOPTXFWKWSI-UHFFFAOYSA-N
Compound name
2-(2,4,5-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]+ 403.149976 192.0
[M+Na]+ 425.131918 202.2
[M-H]- 401.135424 201.6
[M+NH4]+ 420.176523 201.1
[M+K]+ 441.105858 202.0
[M+H-H2O]+ 385.139960 181.8
[M+HCOO]- 447.140901 213.9
[M+CH3COO]- 461.156551 224.3
[M+Na-2H]- 423.117366 192.7
[M]+ 402.14215142 205.5
[M]- 402.14324858 205.5
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.