CID 59240581
Chembl3527215
Structural Information
- Molecular Formula
- C27H27F2N5O
- SMILES
- CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=C(C=C(C=C5)F)F)O
- InChI
- InChI=1S/C27H27F2N5O/c1-27(2,35)19-8-10-25(30-17-19)33-11-13-34(14-12-33)26-22-6-4-3-5-21(22)24(31-32-26)15-18-7-9-20(28)16-23(18)29/h3-10,16-17,35H,11-15H2,1-2H3
- InChIKey
- VMYLWTQRTGGVBK-UHFFFAOYSA-N
- Compound name
- 2-[6-[4-[4-[(2,4-difluorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 476.22563 | 225.0 |
[M+Na]+ | 498.20757 | 231.6 |
[M-H]- | 474.21107 | 227.0 |
[M+NH4]+ | 493.25217 | 225.1 |
[M+K]+ | 514.18151 | 220.9 |
[M+H-H2O]+ | 458.21561 | 207.8 |
[M+HCOO]- | 520.21655 | 229.8 |
[M+CH3COO]- | 534.23220 | 228.6 |
[M+Na-2H]- | 496.19302 | 225.1 |
[M]+ | 475.21780 | 218.8 |
[M]- | 475.21890 | 218.8 |