CID 452542

143467-56-5

Structural Information

Molecular Formula
C15H15Cl3N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC(=NC(=N2)OC)Cl)(Cl)Cl
InChI
InChI=1S/C15H15Cl3N2O4/c1-21-9-5-8(6-10(22-2)13(9)23-3)15(17,18)11-7-12(16)20-14(19-11)24-4/h5-7H,1-4H3
InChIKey
SQLGSBCZTXPIHO-UHFFFAOYSA-N
Compound name
4-chloro-6-[dichloro-(3,4,5-trimethoxyphenyl)methyl]-2-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.00974 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.01702 180.0
[M+Na]+ 414.99896 191.1
[M-H]- 391.00246 183.2
[M+NH4]+ 410.04356 190.9
[M+K]+ 430.97290 186.6
[M+H-H2O]+ 375.00700 172.5
[M+HCOO]- 437.00794 185.2
[M+CH3COO]- 451.02359 217.2
[M+Na-2H]- 412.98441 182.8
[M]+ 392.00919 190.4
[M]- 392.01029 190.4
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.