CID 394939
Nsc699039
Structural Information
- Molecular Formula
- C13H11ClN2O3S
- SMILES
- CC1=CSC(C2=NOC(=O)N12)(C3=CC=C(C=C3)Cl)OC
- InChI
- InChI=1S/C13H11ClN2O3S/c1-8-7-20-13(18-2,9-3-5-10(14)6-4-9)11-15-19-12(17)16(8)11/h3-7H,1-2H3
- InChIKey
- BBMGMJVPBGHYGA-UHFFFAOYSA-N
- Compound name
- 8-(4-chlorophenyl)-8-methoxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.02516 | 163.3 |
[M+Na]+ | 333.00710 | 176.5 |
[M-H]- | 309.01060 | 170.4 |
[M+NH4]+ | 328.05170 | 181.0 |
[M+K]+ | 348.98104 | 172.7 |
[M+H-H2O]+ | 293.01514 | 157.2 |
[M+HCOO]- | 355.01608 | 175.1 |
[M+CH3COO]- | 369.03173 | 176.5 |
[M+Na-2H]- | 330.99255 | 167.2 |
[M]+ | 310.01733 | 171.7 |
[M]- | 310.01843 | 171.7 |
Literature stripe
Patent stripe
No patent data available for this compound.