CID 6338475

2',3'-didehydro-3'-deoxythymidine, 5'-methyl phosphonate

Structural Information

Molecular Formula
C11H14N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)OC
InChI
InChI=1S/C11H13N2O6P/c1-7-5-13(11(15)12-10(7)14)9-4-3-8(19-9)6-18-20(16)17-2/h3-5,8-9H,6H2,1-2H3/p+1/t8-,9+/m0/s1
InChIKey
KJOFUSUNXAICBG-DTWKUNHWSA-O
Compound name
methoxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05896 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06624 162.1
[M+Na]+ 324.04818 170.5
[M-H]- 300.05168 165.6
[M+NH4]+ 319.09278 174.4
[M+K]+ 340.02212 164.4
[M+H-H2O]+ 284.05622 154.6
[M+HCOO]- 346.05716 187.0
[M+CH3COO]- 360.07281 191.7
[M+Na-2H]- 322.03363 164.2
[M]+ 301.05841 165.8
[M]- 301.05951 165.8
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.