CID 453714

4'-meohept

Structural Information

Molecular Formula
C15H18N2O5S
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H18N2O5S/c1-10-13(19)16-15(20)17(9-22-8-7-18)14(10)23-12-5-3-11(21-2)4-6-12/h3-6,18H,7-9H2,1-2H3,(H,16,19,20)
InChIKey
DWMGGBXPBFYIBI-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.09363 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10091 174.5
[M+Na]+ 361.08285 184.0
[M-H]- 337.08635 176.8
[M+NH4]+ 356.12745 185.0
[M+K]+ 377.05679 178.5
[M+H-H2O]+ 321.09089 166.0
[M+HCOO]- 383.09183 189.0
[M+CH3COO]- 397.10748 204.2
[M+Na-2H]- 359.06830 175.1
[M]+ 338.09308 180.9
[M]- 338.09418 180.9
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.