CID 12778940
4-bromo-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
Structural Information
- Molecular Formula
- C6H5BrN4
- SMILES
- CN1C2=C(C=N1)C(=NC=N2)Br
- InChI
- InChI=1S/C6H5BrN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
- InChIKey
- PJEJZRCZVOPFOD-UHFFFAOYSA-N
- Compound name
- 4-bromo-1-methylpyrazolo[3,4-d]pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 212.97704 | 131.3 |
[M+Na]+ | 234.95898 | 147.5 |
[M-H]- | 210.96248 | 134.7 |
[M+NH4]+ | 230.00358 | 152.0 |
[M+K]+ | 250.93292 | 136.7 |
[M+H-H2O]+ | 194.96702 | 130.5 |
[M+HCOO]- | 256.96796 | 151.7 |
[M+CH3COO]- | 270.98361 | 147.5 |
[M+Na-2H]- | 232.94443 | 142.2 |
[M]+ | 211.96921 | 152.6 |
[M]- | 211.97031 | 152.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.