CID 452397

Thymidine, 3'-s-methyl-3'-thio-

Structural Information

Molecular Formula
C11H16N2O4S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SC
InChI
InChI=1S/C11H16N2O4S/c1-6-4-13(11(16)12-10(6)15)9-3-8(18-2)7(5-14)17-9/h4,7-9,14H,3,5H2,1-2H3,(H,12,15,16)/t7-,8+,9-/m1/s1
InChIKey
YIGBHTQIPVBKNR-HRDYMLBCSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

272.08307 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09035 158.8
[M+Na]+ 295.07229 168.8
[M-H]- 271.07579 162.0
[M+NH4]+ 290.11689 172.9
[M+K]+ 311.04623 165.1
[M+H-H2O]+ 255.08033 152.5
[M+HCOO]- 317.08127 171.8
[M+CH3COO]- 331.09692 190.8
[M+Na-2H]- 293.05774 157.3
[M]+ 272.08252 161.3
[M]- 272.08362 161.3
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