CID 3053688
Brn 1175090
Structural Information
- Molecular Formula
- C13H20N5O5P
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)P3(=O)OCCCO3
- InChI
- InChI=1S/C13H20N5O5P/c1-15(24(21)22-7-4-8-23-24)5-6-18-9-14-11-10(18)12(19)17(3)13(20)16(11)2/h9H,4-8H2,1-3H3
- InChIKey
- NGGXOGWVQCYMNN-UHFFFAOYSA-N
- Compound name
- 1,3-dimethyl-7-[2-[methyl-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)amino]ethyl]purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.12748 | 178.5 |
[M+Na]+ | 380.10942 | 188.4 |
[M-H]- | 356.11292 | 183.2 |
[M+NH4]+ | 375.15402 | 188.8 |
[M+K]+ | 396.08336 | 188.9 |
[M+H-H2O]+ | 340.11746 | 166.5 |
[M+HCOO]- | 402.11840 | 201.1 |
[M+CH3COO]- | 416.13405 | 218.2 |
[M+Na-2H]- | 378.09487 | 179.6 |
[M]+ | 357.11965 | 185.1 |
[M]- | 357.12075 | 185.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.