CID 3153544
Isopropyl 6-[4-(acetyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Structural Information
- Molecular Formula
- C20H22N2O5S
- SMILES
- CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C)C(=O)OC(C)C
- InChI
- InChI=1S/C20H22N2O5S/c1-11(2)26-19(25)17-12(3)21-20-22(16(24)9-10-28-20)18(17)14-5-7-15(8-6-14)27-13(4)23/h5-8,11,18H,9-10H2,1-4H3
- InChIKey
- OXUQZELOATZUPT-UHFFFAOYSA-N
- Compound name
- propan-2-yl 6-(4-acetyloxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.13222 | 191.8 |
[M+Na]+ | 425.11416 | 203.0 |
[M+NH4]+ | 420.15876 | 197.0 |
[M+K]+ | 441.08810 | 196.5 |
[M-H]- | 401.11766 | 193.2 |
[M+Na-2H]- | 423.09961 | 195.0 |
[M]+ | 402.12439 | 194.0 |
[M]- | 402.12549 | 194.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.