CID 135538687

143467-61-2

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCCCOC1=NC(=CC(=O)N1)CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H24N2O5/c1-5-6-7-25-18-19-13(11-16(21)20-18)8-12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20,21)
InChIKey
ABPRCVJPFYWDOS-UHFFFAOYSA-N
Compound name
2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 181.8
[M+Na]+ 371.15774 190.4
[M-H]- 347.16124 184.9
[M+NH4]+ 366.20234 192.1
[M+K]+ 387.13168 186.9
[M+H-H2O]+ 331.16578 171.9
[M+HCOO]- 393.16672 201.6
[M+CH3COO]- 407.18237 212.4
[M+Na-2H]- 369.14319 183.8
[M]+ 348.16797 189.7
[M]- 348.16907 189.7
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.