CID 476226

2,4-dimethoxy-5-ethyl-6-(1-hydroxy-1-phenylbut-3-enyl)pyrimidine

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCC1=C(N=C(N=C1OC)OC)C(CC=C)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H22N2O3/c1-5-12-18(21,13-10-8-7-9-11-13)15-14(6-2)16(22-3)20-17(19-15)23-4/h5,7-11,21H,1,6,12H2,2-4H3
InChIKey
XYLKCRRKVOZCPJ-UHFFFAOYSA-N
Compound name
1-(5-ethyl-2,6-dimethoxypyrimidin-4-yl)-1-phenylbut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 176.8
[M+Na]+ 337.15228 184.4
[M-H]- 313.15578 179.6
[M+NH4]+ 332.19688 188.2
[M+K]+ 353.12622 180.0
[M+H-H2O]+ 297.16032 167.7
[M+HCOO]- 359.16126 194.8
[M+CH3COO]- 373.17691 206.0
[M+Na-2H]- 335.13773 181.0
[M]+ 314.16251 180.6
[M]- 314.16361 180.6
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.