CID 31840

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

2D Structure

compound 2d structure
1
Annotation Hits

6
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 192.0
[M+Na]+ 425.13192 202.2
[M-H]- 401.13542 201.6
[M+NH4]+ 420.17652 201.1
[M+K]+ 441.10586 202.0
[M+H-H2O]+ 385.13996 181.8
[M+HCOO]- 447.14090 213.9
[M+CH3COO]- 461.15655 224.3
[M+Na-2H]- 423.11737 192.7
[M]+ 402.14215 205.5
[M]- 402.14325 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

literature stripe

Patent stripe

No patent data available for this compound.