CID 451984

123794-64-9

Structural Information

Molecular Formula
C15H17ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CC(=NC(=N2)OC)Cl
InChI
InChI=1S/C15H17ClN2O4/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(16)18-15(17-10)22-4/h6-8H,5H2,1-4H3
InChIKey
DRAURIOHXMXMFM-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09496 170.6
[M+Na]+ 347.07690 181.6
[M-H]- 323.08040 175.4
[M+NH4]+ 342.12150 183.7
[M+K]+ 363.05084 178.0
[M+H-H2O]+ 307.08494 161.8
[M+HCOO]- 369.08588 188.0
[M+CH3COO]- 383.10153 208.1
[M+Na-2H]- 345.06235 174.2
[M]+ 324.08713 180.7
[M]- 324.08823 180.7
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.