CID 454315
4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-iodo-pyrimidin-2-one
Structural Information
- Molecular Formula
- C8H10IN3O4
- SMILES
- C1[C@@H](O[C@@H](O1)CO)N2C=C(C(=NC2=O)N)I
- InChI
- InChI=1S/C8H10IN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
- InChIKey
- FGXLTPADELRYLB-PHDIDXHHSA-N
- Compound name
- 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-iodopyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.97888 | 161.1 |
[M+Na]+ | 361.96082 | 163.2 |
[M-H]- | 337.96432 | 158.5 |
[M+NH4]+ | 357.00542 | 169.8 |
[M+K]+ | 377.93476 | 168.2 |
[M+H-H2O]+ | 321.96886 | 150.0 |
[M+HCOO]- | 383.96980 | 175.3 |
[M+CH3COO]- | 397.98545 | 195.7 |
[M+Na-2H]- | 359.94627 | 152.5 |
[M]+ | 338.97105 | 158.6 |
[M]- | 338.97215 | 158.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.