CID 135518

Methm-deoxyuridine

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COSC)O
InChI
InChI=1S/C11H16N2O5S/c1-6-4-13(11(16)12-10(6)15)9-3-7(14)8(18-9)5-17-19-2/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKey
GLTPIFGGISPKCB-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(methylsulfanyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

288.078 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 164.7
[M+Na]+ 311.06722 175.0
[M+NH4]+ 306.11182 169.7
[M+K]+ 327.04116 171.5
[M-H]- 287.07072 165.6
[M+Na-2H]- 309.05267 166.1
[M]+ 288.07745 166.5
[M]- 288.07855 166.5
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

patents stripe