CID 464983

Acetic acid, [[[[(2s,5r)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy]phenoxyphosphinyl]oxy]-, methyl ester

Structural Information

Molecular Formula
C19H21N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OCC(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C19H21N2O9P/c1-13-10-21(19(24)20-18(13)23)16-9-8-15(29-16)11-27-31(25,28-12-17(22)26-2)30-14-6-4-3-5-7-14/h3-10,15-16H,11-12H2,1-2H3,(H,20,23,24)/t15-,16+,31?/m0/s1
InChIKey
PSKOXBLIWSKVAO-XPFOVHSQSA-N
Compound name
methyl 2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

452.09848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10576 196.7
[M+Na]+ 475.08770 202.2
[M-H]- 451.09120 202.6
[M+NH4]+ 470.13230 201.9
[M+K]+ 491.06164 202.5
[M+H-H2O]+ 435.09574 184.4
[M+HCOO]- 497.09668 219.2
[M+CH3COO]- 511.11233 225.3
[M+Na-2H]- 473.07315 196.1
[M]+ 452.09793 204.4
[M]- 452.09903 204.4
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.