CID 3075406

3-isobutylsulfinylethyl-6-methyluracil

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CC1=CC(=O)N(C(=O)N1)CCS(=O)CC(C)C
InChI
InChI=1S/C11H18N2O3S/c1-8(2)7-17(16)5-4-13-10(14)6-9(3)12-11(13)15/h6,8H,4-5,7H2,1-3H3,(H,12,15)
InChIKey
RLANAQUHUQWAOJ-UHFFFAOYSA-N
Compound name
6-methyl-3-[2-(2-methylpropylsulfinyl)ethyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10382 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11110 158.4
[M+Na]+ 281.09304 169.3
[M+NH4]+ 276.13764 163.6
[M+K]+ 297.06698 163.0
[M-H]- 257.09654 157.1
[M+Na-2H]- 279.07849 160.9
[M]+ 258.10327 159.7
[M]- 258.10437 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.