CID 472626

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

Structural Information

Molecular Formula
C19H21ClN3O8P
SMILES
CC(C(=O)OC)NP(=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C19H21ClN3O8P/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
WSEJORKOVVVUDW-PIEFEXBFSA-N
Compound name
methyl 2-[[[(2S,5R)-5-(5-chloro-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

485.07547 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.08275 202.3
[M+Na]+ 508.06469 207.6
[M-H]- 484.06819 208.5
[M+NH4]+ 503.10929 207.0
[M+K]+ 524.03863 206.5
[M+H-H2O]+ 468.07273 190.8
[M+HCOO]- 530.07367 220.4
[M+CH3COO]- 544.08932 232.7
[M+Na-2H]- 506.05014 201.0
[M]+ 485.07492 209.8
[M]- 485.07602 209.8
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.