CID 135483767

123794-63-8

Structural Information

Molecular Formula
C15H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CC(=O)NC(=N2)OC
InChI
InChI=1S/C15H18N2O5/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(18)17-15(16-10)22-4/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKey
LLVGZUPSMAEQFU-UHFFFAOYSA-N
Compound name
2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 168.3
[M+Na]+ 329.11080 178.2
[M-H]- 305.11430 172.0
[M+NH4]+ 324.15540 180.3
[M+K]+ 345.08474 175.4
[M+H-H2O]+ 289.11884 159.1
[M+HCOO]- 351.11978 189.2
[M+CH3COO]- 365.13543 203.6
[M+Na-2H]- 327.09625 171.9
[M]+ 306.12103 175.2
[M]- 306.12213 175.2
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.