CID 476228

Methyl 3-(2,4-dimethoxy-5-ethylpyrimidin-6-yl)-3-hydroxy-3-phenylpropanoate

Structural Information

Molecular Formula
C18H22N2O5
SMILES
CCC1=C(N=C(N=C1OC)OC)C(CC(=O)OC)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H22N2O5/c1-5-13-15(19-17(25-4)20-16(13)24-3)18(22,11-14(21)23-2)12-9-7-6-8-10-12/h6-10,22H,5,11H2,1-4H3
InChIKey
AWHLVYBOCATFNM-UHFFFAOYSA-N
Compound name
methyl 3-(5-ethyl-2,6-dimethoxypyrimidin-4-yl)-3-hydroxy-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16014 182.0
[M+Na]+ 369.14208 188.9
[M-H]- 345.14558 184.9
[M+NH4]+ 364.18668 191.8
[M+K]+ 385.11602 186.5
[M+H-H2O]+ 329.15012 172.7
[M+HCOO]- 391.15106 199.3
[M+CH3COO]- 405.16671 210.5
[M+Na-2H]- 367.12753 185.4
[M]+ 346.15231 188.0
[M]- 346.15341 188.0
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.