CID 476230

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

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CCC1=C(N=C(N=C1OC)OC)C(CC(=O)NCC)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H25N3O4/c1-5-14-16(21-18(26-4)22-17(14)25-3)19(24,12-15(23)20-6-2)13-10-8-7-9-11-13/h7-11,24H,5-6,12H2,1-4H3,(H,20,23)
InChIKey
JFMSUZUBXUJKRQ-UHFFFAOYSA-N
Compound name
N-ethyl-3-(5-ethyl-2,6-dimethoxypyrimidin-4-yl)-3-hydroxy-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1845 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 187.7
[M+Na]+ 382.17372 193.4
[M-H]- 358.17722 190.4
[M+NH4]+ 377.21832 196.7
[M+K]+ 398.14766 190.1
[M+H-H2O]+ 342.18176 178.0
[M+HCOO]- 404.18270 205.5
[M+CH3COO]- 418.19835 216.5
[M+Na-2H]- 380.15917 191.0
[M]+ 359.18395 191.8
[M]- 359.18505 191.8
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.