CID 452557

5'-diprpo4-3'-ch3so2t

Structural Information

Molecular Formula
C17H29N2O10PS
SMILES
CCCOP(=O)(OCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OS(=O)(=O)C
InChI
InChI=1S/C17H29N2O10PS/c1-5-7-25-30(22,26-8-6-2)27-11-14-13(29-31(4,23)24)9-15(28-14)19-10-12(3)16(20)18-17(19)21/h10,13-15H,5-9,11H2,1-4H3,(H,18,20,21)/t13-,14+,15+/m0/s1
InChIKey
KKELJYPCWQBGSA-RRFJBIMHSA-N
Compound name
[(2R,3S,5R)-2-(dipropoxyphosphoryloxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.12805 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.13533 202.0
[M+Na]+ 507.11727 207.1
[M-H]- 483.12077 204.4
[M+NH4]+ 502.16187 207.4
[M+K]+ 523.09121 207.5
[M+H-H2O]+ 467.12531 192.4
[M+HCOO]- 529.12625 218.3
[M+CH3COO]- 543.14190 230.2
[M+Na-2H]- 505.10272 201.2
[M]+ 484.12750 213.8
[M]- 484.12860 213.8
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.