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]+ 349.175796 181.8
[M+Na]+ 371.157738 190.4
[M-H]- 347.161244 184.9
[M+NH4]+ 366.202343 192.1
[M+K]+ 387.131678 186.9
[M+H-H2O]+ 331.165780 171.9
[M+HCOO]- 393.166721 201.6
[M+CH3COO]- 407.182371 212.4
[M+Na-2H]- 369.143186 183.8
[M]+ 348.16797142 189.7
[M]- 348.16906858 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.