CID 472627

Methyl 2-[[[(2s,5r)-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C19H21IN3O8P
SMILES
CC(C(=O)OC)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)I)OC3=CC=CC=C3
InChI
InChI=1S/C19H21IN3O8P/c1-12(18(25)28-2)22-32(27,31-13-6-4-3-5-7-13)29-11-14-8-9-16(30-14)23-10-15(20)17(24)21-19(23)26/h3-10,12,14,16H,11H2,1-2H3,(H,22,27)(H,21,24,26)/t12?,14-,16+,32?/m0/s1
InChIKey
RZNBOASHMLUHQX-PIEFEXBFSA-N
Compound name
methyl 2-[[[(2S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.0111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.01838 218.4
[M+Na]+ 600.00032 215.4
[M-H]- 576.00382 216.7
[M+NH4]+ 595.04492 218.1
[M+K]+ 615.97426 221.0
[M+H-H2O]+ 560.00836 202.4
[M+HCOO]- 622.00930 235.0
[M+CH3COO]- 636.02495 237.5
[M+Na-2H]- 597.98577 204.8
[M]+ 577.01055 220.1
[M]- 577.01165 220.1
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.