CID 452556

5'-diet-po4-3'-ch3so2t

Structural Information

Molecular Formula
C15H25N2O10PS
SMILES
CCOP(=O)(OCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OS(=O)(=O)C
InChI
InChI=1S/C15H25N2O10PS/c1-5-23-28(20,24-6-2)25-9-12-11(27-29(4,21)22)7-13(26-12)17-8-10(3)14(18)16-15(17)19/h8,11-13H,5-7,9H2,1-4H3,(H,16,18,19)/t11-,12+,13+/m0/s1
InChIKey
NBLLNPLGNMZXEP-YNEHKIRRSA-N
Compound name
[(2R,3S,5R)-2-(diethoxyphosphoryloxymethyl)-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

456.09674 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10402 193.3
[M+Na]+ 479.08596 199.3
[M-H]- 455.08946 196.0
[M+NH4]+ 474.13056 199.8
[M+K]+ 495.05990 200.0
[M+H-H2O]+ 439.09400 184.0
[M+HCOO]- 501.09494 210.2
[M+CH3COO]- 515.11059 224.5
[M+Na-2H]- 477.07141 193.4
[M]+ 456.09619 204.4
[M]- 456.09729 204.4
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.