CID 90486422
881402-36-4
Structural Information
- Molecular Formula
- C13H14BrN3O3
- SMILES
- CCOC(=O)C1=C(NC(=O)NC1C2=NC(=CC=C2)Br)C
- InChI
- InChI=1S/C13H14BrN3O3/c1-3-20-12(18)10-7(2)15-13(19)17-11(10)8-5-4-6-9(14)16-8/h4-6,11H,3H2,1-2H3,(H2,15,17,19)
- InChIKey
- QYWTXNSNZLSXOR-UHFFFAOYSA-N
- Compound name
- ethyl 4-(6-bromopyridin-2-yl)-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]+ | 340.02913 | 166.5 |
[M+Na]+ | 362.01107 | 176.9 |
[M-H]- | 338.01457 | 169.3 |
[M+NH4]+ | 357.05567 | 178.8 |
[M+K]+ | 377.98501 | 164.0 |
[M+H-H2O]+ | 322.01911 | 164.3 |
[M+HCOO]- | 384.02005 | 179.3 |
[M+CH3COO]- | 398.03570 | 201.7 |
[M+Na-2H]- | 359.99652 | 169.5 |
[M]+ | 339.02130 | 182.7 |
[M]- | 339.02240 | 182.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.