CID 497294

{(2-methoxycarbonyl-1-phenyl-ethoxy)-[(2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-2,5-dihydro-furan-2-ylmethoxy]-phosphoryloxy}-phenyl-propionic acid methyl ester

Structural Information

Molecular Formula
C30H33N2O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(OC(CC(=O)OC)C3=CC=CC=C3)OC(CC(=O)OC)C4=CC=CC=C4
InChI
InChI=1S/C30H33N2O11P/c1-20-18-32(30(36)31-29(20)35)26-15-14-23(41-26)19-40-44(37,42-24(16-27(33)38-2)21-10-6-4-7-11-21)43-25(17-28(34)39-3)22-12-8-5-9-13-22/h4-15,18,23-26H,16-17,19H2,1-3H3,(H,31,35,36)/t23-,24?,25?,26+,44?/m0/s1
InChIKey
DGQNJPJSPAUEBL-FZMJLDQBSA-N
Compound name
methyl 3-[(3-methoxy-3-oxo-1-phenylpropoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]oxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

628.1822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.18948 236.8
[M+Na]+ 651.17142 236.3
[M-H]- 627.17492 244.6
[M+NH4]+ 646.21602 233.2
[M+K]+ 667.14536 238.7
[M+H-H2O]+ 611.17946 222.4
[M+HCOO]- 673.18040 253.9
[M+CH3COO]- 687.19605 258.9
[M+Na-2H]- 649.15687 231.3
[M]+ 628.18165 244.9
[M]- 628.18275 244.9
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.