CID 451952

117068-50-5

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
CC1=CN(C(=O)NC1=O)C(CCO)SCCO
InChI
InChI=1S/C10H16N2O4S/c1-7-6-12(10(16)11-9(7)15)8(2-3-13)17-5-4-14/h6,8,13-14H,2-5H2,1H3,(H,11,15,16)
InChIKey
DDLZNXQSWZYWTD-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-1-(2-hydroxyethylsulfanyl)propyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.08307 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 155.2
[M+Na]+ 283.07229 163.4
[M-H]- 259.07579 152.5
[M+NH4]+ 278.11689 168.2
[M+K]+ 299.04623 158.5
[M+H-H2O]+ 243.08033 148.6
[M+HCOO]- 305.08127 167.2
[M+CH3COO]- 319.09692 187.2
[M+Na-2H]- 281.05774 155.2
[M]+ 260.08252 157.8
[M]- 260.08362 157.8
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

No patent data available for this compound.