CID 139594559
Bifenazat metabolite
Structural Information
- Molecular Formula
- C21H20N2O3
- SMILES
- CC(CC1=C(C=CC(=C1)C2=CC=CC=C2)OC)OC(=O)C3=NC=CN=C3
- InChI
- InChI=1S/C21H20N2O3/c1-15(26-21(24)19-14-22-10-11-23-19)12-18-13-17(8-9-20(18)25-2)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
- InChIKey
- CLMDYPSCRNDGRG-UHFFFAOYSA-N
- Compound name
- 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.15468 | 183.8 |
[M+Na]+ | 371.13662 | 189.7 |
[M-H]- | 347.14012 | 190.4 |
[M+NH4]+ | 366.18122 | 193.1 |
[M+K]+ | 387.11056 | 185.3 |
[M+H-H2O]+ | 331.14466 | 172.2 |
[M+HCOO]- | 393.14560 | 202.9 |
[M+CH3COO]- | 407.16125 | 212.8 |
[M+Na-2H]- | 369.12207 | 186.9 |
[M]+ | 348.14685 | 186.2 |
[M]- | 348.14795 | 186.2 |
Literature stripe
Patent stripe
No patent data available for this compound.