CID 454863

D4t 5'(cl3et meoala)po4

Structural Information

Molecular Formula
C16H21Cl3N3O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NC(C)C(=O)OC)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C16H21Cl3N3O8P/c1-9-6-22(15(25)20-13(9)23)12-5-4-11(30-12)7-28-31(26,29-8-16(17,18)19)21-10(2)14(24)27-3/h4-6,10-12H,7-8H2,1-3H3,(H,21,26)(H,20,23,25)/t10?,11-,12+,31?/m0/s1
InChIKey
OMAPIZCPLXOGKT-FUSARGNHSA-N
Compound name
methyl 2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(2,2,2-trichloroethoxy)phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.0132 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.02048 201.3
[M+Na]+ 542.00242 207.8
[M-H]- 518.00592 203.9
[M+NH4]+ 537.04702 206.8
[M+K]+ 557.97636 206.2
[M+H-H2O]+ 502.01046 193.4
[M+HCOO]- 564.01140 207.7
[M+CH3COO]- 578.02705 235.0
[M+Na-2H]- 539.98787 200.5
[M]+ 519.01265 211.1
[M]- 519.01375 211.1
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.