CID 6481569

5-(ethylsulfanylmethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H18N2O5S
SMILES
CCSCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H18N2O5S/c1-2-20-6-7-4-14(12(18)13-11(7)17)10-3-8(16)9(5-15)19-10/h4,8-10,15-16H,2-3,5-6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
UJHVMVSZWDHKRC-IVZWLZJFSA-N
Compound name
5-(ethylsulfanylmethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.09363 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10091 166.2
[M+Na]+ 325.08285 174.9
[M-H]- 301.08635 167.7
[M+NH4]+ 320.12745 178.2
[M+K]+ 341.05679 170.8
[M+H-H2O]+ 285.09089 159.8
[M+HCOO]- 347.09183 177.5
[M+CH3COO]- 361.10748 193.8
[M+Na-2H]- 323.06830 164.1
[M]+ 302.09308 168.7
[M]- 302.09418 168.7
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.