CID 4962783
Ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Structural Information
- Molecular Formula
- C12H13ClN2O4
- SMILES
- CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CCl
- InChI
- InChI=1S/C12H13ClN2O4/c1-2-18-11(16)9-7(6-13)14-12(17)15-10(9)8-4-3-5-19-8/h3-5,10H,2,6H2,1H3,(H2,14,15,17)
- InChIKey
- XHNONBRRPYWXOS-UHFFFAOYSA-N
- Compound name
- ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.06368 | 161.7 |
[M+Na]+ | 307.04562 | 169.6 |
[M-H]- | 283.04912 | 163.7 |
[M+NH4]+ | 302.09022 | 174.7 |
[M+K]+ | 323.01956 | 165.5 |
[M+H-H2O]+ | 267.05366 | 154.6 |
[M+HCOO]- | 329.05460 | 173.5 |
[M+CH3COO]- | 343.07025 | 191.3 |
[M+Na-2H]- | 305.03107 | 162.3 |
[M]+ | 284.05585 | 162.6 |
[M]- | 284.05695 | 162.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.