CID 15956072

Pdcpisodt

Structural Information

Molecular Formula
C19H27N5O14P2
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]2O)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C=CC(=NC4=O)N
InChI
InChI=1S/C19H27N5O14P2/c1-9-5-24(19(28)22-17(9)26)10-6-34-13(16(10)25)8-36-40(32,33)38-11-4-15(23-3-2-14(20)21-18(23)27)37-12(11)7-35-39(29,30)31/h2-3,5,10-13,15-16,25H,4,6-8H2,1H3,(H,32,33)(H2,20,21,27)(H,22,26,28)(H2,29,30,31)/t10-,11+,12-,13-,15-,16+/m1/s1
InChIKey
KZMHMRABEYMJJK-CVZQHSHTSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R)-3-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

611.10297 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.11025 219.3
[M+Na]+ 634.09219 223.1
[M-H]- 610.09569 214.2
[M+NH4]+ 629.13679 219.0
[M+K]+ 650.06613 219.8
[M+H-H2O]+ 594.10023 205.6
[M+HCOO]- 656.10117 221.2
[M+CH3COO]- 670.11682 254.3
[M+Na-2H]- 632.07764 218.0
[M]+ 611.10242 215.0
[M]- 611.10352 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.