CID 452558

5'-dibupo4-3'-ch3so2t

Structural Information

Molecular Formula
C19H33N2O10PS
SMILES
CCCCOP(=O)(OCCCC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OS(=O)(=O)C
InChI
InChI=1S/C19H33N2O10PS/c1-5-7-9-27-32(24,28-10-8-6-2)29-13-16-15(31-33(4,25)26)11-17(30-16)21-12-14(3)18(22)20-19(21)23/h12,15-17H,5-11,13H2,1-4H3,(H,20,22,23)/t15-,16+,17+/m0/s1
InChIKey
OEMKFIQLTWCFTO-GVDBMIGSSA-N
Compound name
[(2R,3S,5R)-2-(dibutoxyphosphoryloxymethyl)-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

512.15936 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.16664 210.7
[M+Na]+ 535.14858 214.8
[M-H]- 511.15208 212.6
[M+NH4]+ 530.19318 214.9
[M+K]+ 551.12252 214.8
[M+H-H2O]+ 495.15662 200.7
[M+HCOO]- 557.15756 226.2
[M+CH3COO]- 571.17321 236.0
[M+Na-2H]- 533.13403 209.1
[M]+ 512.15881 223.0
[M]- 512.15991 223.0
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.