CID 452900

6tbus-1-(2ohetome)t

Structural Information

Molecular Formula
C12H20N2O4S
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)SC(C)(C)C
InChI
InChI=1S/C12H20N2O4S/c1-8-9(16)13-11(17)14(7-18-6-5-15)10(8)19-12(2,3)4/h15H,5-7H2,1-4H3,(H,13,16,17)
InChIKey
AMNPLZDZHZTWLK-UHFFFAOYSA-N
Compound name
6-tert-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

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12166 165.1
[M+Na]+ 311.10360 174.4
[M-H]- 287.10710 164.1
[M+NH4]+ 306.14820 178.2
[M+K]+ 327.07754 169.9
[M+H-H2O]+ 271.11164 158.6
[M+HCOO]- 333.11258 177.4
[M+CH3COO]- 347.12823 195.6
[M+Na-2H]- 309.08905 165.8
[M]+ 288.11383 170.7
[M]- 288.11493 170.7
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.