CID 472599

Chembl2111990

Structural Information

Molecular Formula
C24H33FN5O11P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(C[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)F)N[C@H](C)C(=O)OC
InChI
InChI=1S/C24H33FN5O11P/c1-11-7-29(23(35)26-20(11)32)18-5-14(25)17(40-18)10-42(37,28-13(3)22(34)38-4)41-15-6-19(39-16(15)9-31)30-8-12(2)21(33)27-24(30)36/h7-8,13-19,31H,5-6,9-10H2,1-4H3,(H,28,37)(H,26,32,35)(H,27,33,36)/t13-,14+,15+,16-,17-,18-,19-,42?/m1/s1
InChIKey
CTYJAWJNMMQHHQ-UTLNSJNRSA-N
Compound name
methyl (2R)-2-[[[(2S,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

617.1898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.19708 228.1
[M+Na]+ 640.17902 231.9
[M-H]- 616.18252 223.7
[M+NH4]+ 635.22362 228.5
[M+K]+ 656.15296 226.5
[M+H-H2O]+ 600.18706 213.6
[M+HCOO]- 662.18800 230.4
[M+CH3COO]- 676.20365 261.5
[M+Na-2H]- 638.16447 231.8
[M]+ 617.18925 233.8
[M]- 617.19035 233.8
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.