CID 452927

125056-98-6

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
C=CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O4S/c1-2-12-13(19)16-15(20)17(10-21-9-8-18)14(12)22-11-6-4-3-5-7-11/h2-7,18H,1,8-10H2,(H,16,19,20)
InChIKey
HDVPQUCVNJUFLQ-UHFFFAOYSA-N
Compound name
5-ethenyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

320.08307 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 170.8
[M+Na]+ 343.07229 180.1
[M-H]- 319.07579 172.7
[M+NH4]+ 338.11689 181.8
[M+K]+ 359.04623 173.2
[M+H-H2O]+ 303.08033 162.4
[M+HCOO]- 365.08127 185.4
[M+CH3COO]- 379.09692 200.0
[M+Na-2H]- 341.05774 171.8
[M]+ 320.08252 174.7
[M]- 320.08362 174.7
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.