CID 165893611
5-bromo-6-{[(tert-butoxy)carbonyl]amino}pyrimidine-4-carboxylic acid
Structural Information
- Molecular Formula
- C10H12BrN3O4
- SMILES
- CC(C)(C)OC(=O)NC1=NC=NC(=C1Br)C(=O)O
- InChI
- InChI=1S/C10H12BrN3O4/c1-10(2,3)18-9(17)14-7-5(11)6(8(15)16)12-4-13-7/h4H,1-3H3,(H,15,16)(H,12,13,14,17)
- InChIKey
- YEBZGLRCBNLMJC-UHFFFAOYSA-N
- Compound name
- 5-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.00841 | 158.2 |
[M+Na]+ | 339.99035 | 168.7 |
[M-H]- | 315.99385 | 161.1 |
[M+NH4]+ | 335.03495 | 173.1 |
[M+K]+ | 355.96429 | 158.3 |
[M+H-H2O]+ | 299.99839 | 156.6 |
[M+HCOO]- | 361.99933 | 174.7 |
[M+CH3COO]- | 376.01498 | 200.5 |
[M+Na-2H]- | 337.97580 | 164.1 |
[M]+ | 317.00058 | 178.2 |
[M]- | 317.00168 | 178.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.