CID 452898

6ets-1-(2-ohetome)t

Structural Information

Molecular Formula
C10H16N2O4S
SMILES
CCSC1=C(C(=O)NC(=O)N1COCCO)C
InChI
InChI=1S/C10H16N2O4S/c1-3-17-9-7(2)8(14)11-10(15)12(9)6-16-5-4-13/h13H,3-6H2,1-2H3,(H,11,14,15)
InChIKey
YNMMZRKISFEJKG-UHFFFAOYSA-N
Compound name
6-ethylsulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.08307 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09035 154.5
[M+Na]+ 283.07229 164.3
[M-H]- 259.07579 153.5
[M+NH4]+ 278.11689 168.5
[M+K]+ 299.04623 159.7
[M+H-H2O]+ 243.08033 147.7
[M+HCOO]- 305.08127 168.9
[M+CH3COO]- 319.09692 189.9
[M+Na-2H]- 281.05774 155.3
[M]+ 260.08252 159.9
[M]- 260.08362 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.