CID 452406

129174-12-5

Structural Information

Molecular Formula
C12H20N3O6P
SMILES
CCOP(=O)(COC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N)O
InChI
InChI=1S/C12H20N3O6P/c1-2-20-22(17,18)8-19-7-9-3-4-11(21-9)15-6-5-10(13)14-12(15)16/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18)(H2,13,14,16)/t9-,11+/m0/s1
InChIKey
JHLORDHGMOXGTJ-GXSJLCMTSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.10898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11626 173.2
[M+Na]+ 356.09820 178.8
[M-H]- 332.10170 175.0
[M+NH4]+ 351.14280 183.7
[M+K]+ 372.07214 178.6
[M+H-H2O]+ 316.10624 162.6
[M+HCOO]- 378.10718 196.2
[M+CH3COO]- 392.12283 206.5
[M+Na-2H]- 354.08365 173.4
[M]+ 333.10843 176.0
[M]- 333.10953 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.