CID 515099
5'-nh2-fiac
Structural Information
- Molecular Formula
- C9H12FIN4O3
- SMILES
- C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CN)O)F)N)I
- InChI
- InChI=1S/C9H12FIN4O3/c10-5-6(16)4(1-12)18-8(5)15-2-3(11)7(13)14-9(15)17/h2,4-6,8,16H,1,12H2,(H2,13,14,17)/t4-,5+,6-,8-/m1/s1
- InChIKey
- PLTHDZDHDMWBBR-BYPJNBLXSA-N
- Compound name
- 4-amino-1-[(2R,3S,4R,5R)-5-(aminomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.00108 | 169.3 |
[M+Na]+ | 392.98302 | 171.8 |
[M-H]- | 368.98652 | 164.9 |
[M+NH4]+ | 388.02762 | 178.0 |
[M+K]+ | 408.95696 | 174.6 |
[M+H-H2O]+ | 352.99106 | 157.2 |
[M+HCOO]- | 414.99200 | 183.2 |
[M+CH3COO]- | 429.00765 | 205.8 |
[M+Na-2H]- | 390.96847 | 157.1 |
[M]+ | 369.99325 | 163.4 |
[M]- | 369.99435 | 163.4 |
Literature stripe
Patent stripe
No patent data available for this compound.