CID 3075411

1,3,6-trimethyl-5-butylsulfinylethoxyuracil

Structural Information

Molecular Formula
C13H22N2O4S
SMILES
CCCCS(=O)CCOC1=C(N(C(=O)N(C1=O)C)C)C
InChI
InChI=1S/C13H22N2O4S/c1-5-6-8-20(18)9-7-19-11-10(2)14(3)13(17)15(4)12(11)16/h5-9H2,1-4H3
InChIKey
AMLXTVLMHYIBMB-UHFFFAOYSA-N
Compound name
5-(2-butylsulfinylethoxy)-1,3,6-trimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.13004 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13732 164.8
[M+Na]+ 325.11926 175.0
[M-H]- 301.12276 166.6
[M+NH4]+ 320.16386 178.8
[M+K]+ 341.09320 171.5
[M+H-H2O]+ 285.12730 157.4
[M+HCOO]- 347.12824 180.4
[M+CH3COO]- 361.14389 205.1
[M+Na-2H]- 323.10471 163.4
[M]+ 302.12949 174.2
[M]- 302.13059 174.2
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.