CID 476227

6-(1-benzyloxy-1-phenylbut-3-enyl)-2,4-dimethoxy-5-ethylpyrimidine

Structural Information

Molecular Formula
C25H28N2O3
SMILES
CCC1=C(N=C(N=C1OC)OC)C(CC=C)(C2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C25H28N2O3/c1-5-17-25(20-15-11-8-12-16-20,30-18-19-13-9-7-10-14-19)22-21(6-2)23(28-3)27-24(26-22)29-4/h5,7-16H,1,6,17-18H2,2-4H3
InChIKey
SNSZUVSYRURKFZ-UHFFFAOYSA-N
Compound name
5-ethyl-2,4-dimethoxy-6-(1-phenyl-1-phenylmethoxybut-3-enyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21728 203.0
[M+Na]+ 427.19922 208.8
[M-H]- 403.20272 209.2
[M+NH4]+ 422.24382 210.4
[M+K]+ 443.17316 203.1
[M+H-H2O]+ 387.20726 190.9
[M+HCOO]- 449.20820 220.9
[M+CH3COO]- 463.22385 225.0
[M+Na-2H]- 425.18467 206.2
[M]+ 404.20945 207.8
[M]- 404.21055 207.8
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.