CID 10061748

1-[(2r,4s,5s)-4-amino-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-methylsulfanyl-pyrimidin-2-one

Structural Information

Molecular Formula
C11H17N3O3S
SMILES
CC1=CN(C(=O)N=C1SC)[C@H]2C[C@@H]([C@H](O2)CO)N
InChI
InChI=1S/C11H17N3O3S/c1-6-4-14(11(16)13-10(6)18-2)9-3-7(12)8(5-15)17-9/h4,7-9,15H,3,5,12H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey
XXCJRLWXLFUSKL-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.09906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10634 160.6
[M+Na]+ 294.08828 170.1
[M-H]- 270.09178 164.6
[M+NH4]+ 289.13288 175.0
[M+K]+ 310.06222 166.8
[M+H-H2O]+ 254.09632 153.7
[M+HCOO]- 316.09726 175.1
[M+CH3COO]- 330.11291 196.2
[M+Na-2H]- 292.07373 159.0
[M]+ 271.09851 162.5
[M]- 271.09961 162.5
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

No patent data available for this compound.