CID 3061065
78613-15-7
Structural Information
- Molecular Formula
- C20H22N2O5S
- SMILES
- COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C3=NNC(=S)O3)OC
- InChI
- InChI=1S/C20H22N2O5S/c1-23-15-7-5-12(10-17(15)25-3)9-14(19-21-22-20(28)27-19)13-6-8-16(24-2)18(11-13)26-4/h5-8,10-11,14H,9H2,1-4H3,(H,22,28)
- InChIKey
- BADNWWMCZDWIOR-UHFFFAOYSA-N
- Compound name
- 5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.13222 | 194.9 |
[M+Na]+ | 425.11416 | 208.5 |
[M+NH4]+ | 420.15876 | 200.3 |
[M+K]+ | 441.08810 | 202.6 |
[M-H]- | 401.11766 | 199.5 |
[M+Na-2H]- | 423.09961 | 200.6 |
[M]+ | 402.12439 | 198.6 |
[M]- | 402.12549 | 198.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.