CID 476229

3-(2,4-dimethoxy-5-ethylpyrimidin-6-yl)-3-hydroxy-n-methyl-3-phenylpropanamide

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CCC1=C(N=C(N=C1OC)OC)C(CC(=O)NC)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H23N3O4/c1-5-13-15(20-17(25-4)21-16(13)24-3)18(23,11-14(22)19-2)12-9-7-6-8-10-12/h6-10,23H,5,11H2,1-4H3,(H,19,22)
InChIKey
NUZHYGWZACGRSP-UHFFFAOYSA-N
Compound name
3-(5-ethyl-2,6-dimethoxypyrimidin-4-yl)-3-hydroxy-N-methyl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.16885 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 183.3
[M+Na]+ 368.15807 189.4
[M-H]- 344.16157 186.1
[M+NH4]+ 363.20267 192.8
[M+K]+ 384.13201 186.3
[M+H-H2O]+ 328.16611 173.8
[M+HCOO]- 390.16705 201.5
[M+CH3COO]- 404.18270 213.5
[M+Na-2H]- 366.14352 187.1
[M]+ 345.16830 187.1
[M]- 345.16940 187.1
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.