CID 44588031
Chembl456794
Structural Information
- Molecular Formula
- C25H26N4O4
- SMILES
- CC1=C(C(=NC(=N1)N)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC
- InChI
- InChI=1S/C25H26N4O4/c1-15-22(16-3-6-19(31-2)7-4-16)23(28-25(26)27-15)17-9-11-29(12-10-17)24(30)18-5-8-20-21(13-18)33-14-32-20/h3-8,13,17H,9-12,14H2,1-2H3,(H2,26,27,28)
- InChIKey
- OULOEOOUQWYTEU-UHFFFAOYSA-N
- Compound name
- [4-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.20268 | 211.1 |
[M+Na]+ | 469.18462 | 216.7 |
[M-H]- | 445.18812 | 221.3 |
[M+NH4]+ | 464.22922 | 214.6 |
[M+K]+ | 485.15856 | 213.1 |
[M+H-H2O]+ | 429.19266 | 198.6 |
[M+HCOO]- | 491.19360 | 223.0 |
[M+CH3COO]- | 505.20925 | 218.1 |
[M+Na-2H]- | 467.17007 | 208.6 |
[M]+ | 446.19485 | 210.0 |
[M]- | 446.19595 | 210.0 |
Literature stripe
Patent stripe
No patent data available for this compound.