CID 3053194
4-pyridinemethanol, 3,3'-((6-methyl-2,4-pyrimidinediyl)bis(4,1-piperazinediylmethylene))bis(5-hydroxy-6-methyl-
Structural Information
- Molecular Formula
- C29H36N8O4
- SMILES
- CC1=CC(=NC(=N1)C2(N3CCN2CC3)C4=CN=C(C(=C4CO)O)C)C5(N6CCN5CC6)C7=CN=C(C(=C7CO)O)C
- InChI
- InChI=1S/C29H36N8O4/c1-17-12-24(28(34-4-5-35(28)7-6-34)22-13-30-18(2)25(40)20(22)15-38)33-27(32-17)29(36-8-9-37(29)11-10-36)23-14-31-19(3)26(41)21(23)16-39/h12-14,38-41H,4-11,15-16H2,1-3H3
- InChIKey
- GLWHBABQLFPFET-UHFFFAOYSA-N
- Compound name
- 5-[7-[2-[7-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]-1,4-diazabicyclo[2.2.1]heptan-7-yl]-6-methylpyrimidin-4-yl]-1,4-diazabicyclo[2.2.1]heptan-7-yl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 561.29323 | 225.7 |
[M+Na]+ | 583.27517 | 233.1 |
[M-H]- | 559.27867 | 229.9 |
[M+NH4]+ | 578.31977 | 231.2 |
[M+K]+ | 599.24911 | 226.6 |
[M+H-H2O]+ | 543.28321 | 216.2 |
[M+HCOO]- | 605.28415 | 227.6 |
[M+CH3COO]- | 619.29980 | 229.7 |
[M+Na-2H]- | 581.26062 | 215.6 |
[M]+ | 560.28540 | 227.0 |
[M]- | 560.28650 | 227.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.