CID 511233

Methyl (2s)-2-[[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(3,5-dichlorophenoxy)phosphoryl]amino]propanoate

Structural Information

Molecular Formula
C20H23Cl2N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC(=CC(=C3)Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C20H23Cl2N6O8P/c1-10-8-28(20(31)24-18(10)29)17-7-15(25-27-23)16(35-17)9-34-37(32,26-11(2)19(30)33-3)36-14-5-12(21)4-13(22)6-14/h4-6,8,11,15-17H,7,9H2,1-3H3,(H,26,32)(H,24,29,31)/t11-,15-,16+,17+,37?/m0/s1
InChIKey
FCHJIQURAUPEFC-UFWAGODXSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(3,5-dichlorophenoxy)phosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.0692 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.07648 225.7
[M+Na]+ 599.05842 229.0
[M-H]- 575.06192 233.8
[M+NH4]+ 594.10302 227.5
[M+K]+ 615.03236 223.1
[M+H-H2O]+ 559.06646 218.6
[M+HCOO]- 621.06740 242.9
[M+CH3COO]- 635.08305 251.8
[M+Na-2H]- 597.04387 227.6
[M]+ 576.06865 231.4
[M]- 576.06975 231.4
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.