CID 446835
5-nitro-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione
Structural Information
- Molecular Formula
- C9H14N4O8
- SMILES
- C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H14N4O8/c14-2-4(16)6(17)3(15)1-10-7-5(13(20)21)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1
- InChIKey
- KSKGHNZSCSCHEQ-RPDRRWSUSA-N
- Compound name
- 5-nitro-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.08846 | 155.9 |
[M+Na]+ | 329.07040 | 159.6 |
[M-H]- | 305.07390 | 149.7 |
[M+NH4]+ | 324.11500 | 162.3 |
[M+K]+ | 345.04434 | 152.8 |
[M+H-H2O]+ | 289.07844 | 153.1 |
[M+HCOO]- | 351.07938 | 169.6 |
[M+CH3COO]- | 365.09503 | 186.5 |
[M+Na-2H]- | 327.05585 | 159.1 |
[M]+ | 306.08063 | 149.7 |
[M]- | 306.08173 | 149.7 |