CID 6338468

1-[(2r,5s)-5-[2-(2-methoxyethoxy)ethoxyphosphonoyloxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H22N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)OCCOCCOC
InChI
InChI=1S/C15H21N2O8P/c1-11-9-17(15(19)16-14(11)18)13-4-3-12(25-13)10-24-26(20)23-8-7-22-6-5-21-2/h3-4,9,12-13H,5-8,10H2,1-2H3/p+1/t12-,13+/m0/s1
InChIKey
RBSZXABWNHIDPE-QWHCGFSZSA-O
Compound name
2-(2-methoxyethoxy)ethoxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1114 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11868 184.7
[M+Na]+ 412.10062 190.6
[M-H]- 388.10412 187.4
[M+NH4]+ 407.14522 193.1
[M+K]+ 428.07456 185.2
[M+H-H2O]+ 372.10866 176.0
[M+HCOO]- 434.10960 208.5
[M+CH3COO]- 448.12525 208.1
[M+Na-2H]- 410.08607 185.6
[M]+ 389.11085 192.5
[M]- 389.11195 192.5
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.