CID 3001321

Ethyl (2s)-2-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]oxypropanoate

Structural Information

Molecular Formula
C21H25N2O9P
SMILES
CCOC(=O)[C@H](C)OP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C21H25N2O9P/c1-4-28-20(25)15(3)31-33(27,32-16-8-6-5-7-9-16)29-13-17-10-11-18(30-17)23-12-14(2)19(24)22-21(23)26/h5-12,15,17-18H,4,13H2,1-3H3,(H,22,24,26)/t15-,17-,18+,33?/m0/s1
InChIKey
LYSNRUZZVLTEPV-TZDHYOIISA-N
Compound name
ethyl (2S)-2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.12976 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13704 205.1
[M+Na]+ 503.11898 209.4
[M-H]- 479.12248 210.7
[M+NH4]+ 498.16358 209.1
[M+K]+ 519.09292 210.0
[M+H-H2O]+ 463.12702 192.8
[M+HCOO]- 525.12796 226.0
[M+CH3COO]- 539.14361 232.0
[M+Na-2H]- 501.10443 202.6
[M]+ 480.12921 212.9
[M]- 480.13031 212.9
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.