CID 42552979
885952-24-9
Structural Information
- Molecular Formula
- C16H19BrN4O
- SMILES
- CN1CCN(CC1)C2=NC=C(C(=N2)OCC3=CC=CC=C3)Br
- InChI
- InChI=1S/C16H19BrN4O/c1-20-7-9-21(10-8-20)16-18-11-14(17)15(19-16)22-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
- InChIKey
- FBCSAWNCWAURAD-UHFFFAOYSA-N
- Compound name
- 5-bromo-2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 363.08150 | 176.0 |
[M+Na]+ | 385.06344 | 185.1 |
[M-H]- | 361.06694 | 182.0 |
[M+NH4]+ | 380.10804 | 186.8 |
[M+K]+ | 401.03738 | 172.7 |
[M+H-H2O]+ | 345.07148 | 171.7 |
[M+HCOO]- | 407.07242 | 189.4 |
[M+CH3COO]- | 421.08807 | 186.7 |
[M+Na-2H]- | 383.04889 | 181.3 |
[M]+ | 362.07367 | 192.1 |
[M]- | 362.07477 | 192.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.