CID 452899

6bus-1-(2ohetome)t

Structural Information

Molecular Formula
C12H20N2O4S
SMILES
CCCCSC1=C(C(=O)NC(=O)N1COCCO)C
InChI
InChI=1S/C12H20N2O4S/c1-3-4-7-19-11-9(2)10(16)13-12(17)14(11)8-18-6-5-15/h15H,3-8H2,1-2H3,(H,13,16,17)
InChIKey
TZNNJCUFROCSJV-UHFFFAOYSA-N
Compound name
6-butylsulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.11438 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12166 163.1
[M+Na]+ 311.10360 171.9
[M-H]- 287.10710 161.7
[M+NH4]+ 306.14820 176.0
[M+K]+ 327.07754 166.9
[M+H-H2O]+ 271.11164 155.9
[M+HCOO]- 333.11258 176.9
[M+CH3COO]- 347.12823 195.9
[M+Na-2H]- 309.08905 162.9
[M]+ 288.11383 169.2
[M]- 288.11493 169.2
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.