CID 650029
Ethyl 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylate
Structural Information
- Molecular Formula
- C14H15FN2O3
- SMILES
- CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)C
- InChI
- InChI=1S/C14H15FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
- InChIKey
- QGHWHUHDQUDRRI-UHFFFAOYSA-N
- Compound name
- ethyl 4-(4-fluorophenyl)-6-methyl-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]+ | 279.11394 | 163.1 |
[M+Na]+ | 301.09588 | 170.7 |
[M-H]- | 277.09938 | 163.2 |
[M+NH4]+ | 296.14048 | 175.1 |
[M+K]+ | 317.06982 | 165.7 |
[M+H-H2O]+ | 261.10392 | 154.0 |
[M+HCOO]- | 323.10486 | 177.8 |
[M+CH3COO]- | 337.12051 | 195.4 |
[M+Na-2H]- | 299.08133 | 163.6 |
[M]+ | 278.10611 | 159.3 |
[M]- | 278.10721 | 159.3 |