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]+ 257.09545 154.5
[M+Na]+ 279.07739 164.1
[M-H]- 255.08089 154.5
[M+NH4]+ 274.12199 169.2
[M+K]+ 295.05133 159.0
[M+H-H2O]+ 239.08543 147.4
[M+HCOO]- 301.08637 170.2
[M+CH3COO]- 315.10202 191.1
[M+Na-2H]- 277.06284 155.8
[M]+ 256.08762 159.7
[M]- 256.08872 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.