CID 452399

3'-methylsulfonyl-dt

Structural Information

Molecular Formula
C11H16N2O6S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)S(=O)(=O)C
InChI
InChI=1S/C11H16N2O6S/c1-6-4-13(11(16)12-10(6)15)9-3-8(20(2,17)18)7(5-14)19-9/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9-/m1/s1
InChIKey
DIDUXONFNVPUPK-HRDYMLBCSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methylsulfonyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.0729 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08018 164.4
[M+Na]+ 327.06212 174.4
[M-H]- 303.06562 167.7
[M+NH4]+ 322.10672 176.8
[M+K]+ 343.03606 171.4
[M+H-H2O]+ 287.07016 158.6
[M+HCOO]- 349.07110 176.4
[M+CH3COO]- 363.08675 194.6
[M+Na-2H]- 325.04757 164.5
[M]+ 304.07235 167.7
[M]- 304.07345 167.7
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

patents stripe