CID 511193

[(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-n-[(1s)-2-methoxy-1-methyl-2-oxo-ethyl]phosphonamidic acid

Structural Information

Molecular Formula
C13H18N3O8P
SMILES
C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1C=C[C@@H](O1)N2C=CC(=O)NC2=O
InChI
InChI=1S/C13H18N3O8P/c1-8(12(18)22-2)15-25(20,21)23-7-9-3-4-11(24-9)16-6-5-10(17)14-13(16)19/h3-6,8-9,11H,7H2,1-2H3,(H,14,17,19)(H2,15,20,21)/t8-,9-,11+/m0/s1
InChIKey
RCZXTGNOCUTYHA-ATZCPNFKSA-N
Compound name
[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-N-[(2S)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.08316 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09044 178.2
[M+Na]+ 398.07238 183.2
[M-H]- 374.07588 179.7
[M+NH4]+ 393.11698 186.0
[M+K]+ 414.04632 183.7
[M+H-H2O]+ 358.08042 167.8
[M+HCOO]- 420.08136 200.1
[M+CH3COO]- 434.09701 211.9
[M+Na-2H]- 396.05783 178.0
[M]+ 375.08261 181.9
[M]- 375.08371 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.