CID 15954384

Thymidine,|a-(methylsulfinyl)-

Structural Information

Molecular Formula
C11H16N2O6S
SMILES
CS(=O)CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H16N2O6S/c1-20(18)5-6-3-13(11(17)12-10(6)16)9-2-7(15)8(4-14)19-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9+,20?/m0/s1
InChIKey
WOPHJULDZQYCRH-FRBZENMSSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methylsulfinylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0729 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08018 164.1
[M+Na]+ 327.06212 172.9
[M-H]- 303.06562 165.9
[M+NH4]+ 322.10672 175.7
[M+K]+ 343.03606 169.6
[M+H-H2O]+ 287.07016 157.9
[M+HCOO]- 349.07110 175.0
[M+CH3COO]- 363.08675 193.6
[M+Na-2H]- 325.04757 161.7
[M]+ 304.07235 166.4
[M]- 304.07345 166.4
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

No patent data available for this compound.