CID 11646777
Ly2334737
Structural Information
- Molecular Formula
- C17H25F2N3O5
- SMILES
- CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
- InChI
- InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1
- InChIKey
- MEOYFIHNRBNEPI-UXIGCNINSA-N
- Compound name
- N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 390.18352 | 187.9 |
[M+Na]+ | 412.16546 | 194.3 |
[M-H]- | 388.16896 | 187.6 |
[M+NH4]+ | 407.21006 | 197.7 |
[M+K]+ | 428.13940 | 191.7 |
[M+H-H2O]+ | 372.17350 | 178.9 |
[M+HCOO]- | 434.17444 | 200.8 |
[M+CH3COO]- | 448.19009 | 218.6 |
[M+Na-2H]- | 410.15091 | 185.2 |
[M]+ | 389.17569 | 187.9 |
[M]- | 389.17679 | 187.9 |