CID 511217

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

Structural Information

Molecular Formula
C21H26N3O8P
SMILES
CCOC(=O)CN(C)P(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OC3=CC=CC=C3
InChI
InChI=1S/C21H26N3O8P/c1-4-29-19(25)13-23(3)33(28,32-16-8-6-5-7-9-16)30-14-17-10-11-18(31-17)24-12-15(2)20(26)22-21(24)27/h5-12,17-18H,4,13-14H2,1-3H3,(H,22,26,27)/t17-,18+,33?/m0/s1
InChIKey
OIRUBFOGMVHBGE-ZWKVNYEQSA-N
Compound name
ethyl 2-[methyl-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.14575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.15303 206.6
[M+Na]+ 502.13497 210.7
[M-H]- 478.13847 213.6
[M+NH4]+ 497.17957 211.1
[M+K]+ 518.10891 211.3
[M+H-H2O]+ 462.14301 193.8
[M+HCOO]- 524.14395 229.9
[M+CH3COO]- 538.15960 237.2
[M+Na-2H]- 500.12042 204.8
[M]+ 479.14520 214.1
[M]- 479.14630 214.1
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.