CID 62100298
2-(2-chlorophenyl)-4-isopropylpyrimidine-5-carboxylic acid
Structural Information
- Molecular Formula
- C14H13ClN2O2
- SMILES
- CC(C)C1=NC(=NC=C1C(=O)O)C2=CC=CC=C2Cl
- InChI
- InChI=1S/C14H13ClN2O2/c1-8(2)12-10(14(18)19)7-16-13(17-12)9-5-3-4-6-11(9)15/h3-8H,1-2H3,(H,18,19)
- InChIKey
- CJIZEKSVMXLPJA-UHFFFAOYSA-N
- Compound name
- 2-(2-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.07384 | 158.9 |
[M+Na]+ | 299.05578 | 168.2 |
[M-H]- | 275.05928 | 162.0 |
[M+NH4]+ | 294.10038 | 172.6 |
[M+K]+ | 315.02972 | 162.9 |
[M+H-H2O]+ | 259.06382 | 151.1 |
[M+HCOO]- | 321.06476 | 173.1 |
[M+CH3COO]- | 335.08041 | 197.0 |
[M+Na-2H]- | 297.04123 | 161.8 |
[M]+ | 276.06601 | 161.4 |
[M]- | 276.06711 | 161.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.