CID 396178

Nsc701726

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CC1=CN(C(=O)NC1=O)COCCSCC=C
InChI
InChI=1S/C11H16N2O3S/c1-3-5-17-6-4-16-8-13-7-9(2)10(14)12-11(13)15/h3,7H,1,4-6,8H2,2H3,(H,12,14,15)
InChIKey
DLAAAVHNZKKRPE-UHFFFAOYSA-N
Compound name
5-methyl-1-(2-prop-2-enylsulfanylethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08817 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 154.5
[M+Na]+ 279.077388 164.1
[M-H]- 255.080894 154.5
[M+NH4]+ 274.121993 169.2
[M+K]+ 295.051328 159.0
[M+H-H2O]+ 239.085430 147.4
[M+HCOO]- 301.086371 170.2
[M+CH3COO]- 315.102021 191.1
[M+Na-2H]- 277.062836 155.8
[M]+ 256.08762142 159.7
[M]- 256.08871858 159.7
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.