CID 113329744

4-(dimethoxymethyl)-2-(4-methoxyphenyl)pyrimidine

Structural Information

Molecular Formula
C14H16N2O3
SMILES
COC1=CC=C(C=C1)C2=NC=CC(=N2)C(OC)OC
InChI
InChI=1S/C14H16N2O3/c1-17-11-6-4-10(5-7-11)13-15-9-8-12(16-13)14(18-2)19-3/h4-9,14H,1-3H3
InChIKey
ZRWLZXYOQVVROJ-UHFFFAOYSA-N
Compound name
4-(dimethoxymethyl)-2-(4-methoxyphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.5
[M+Na]+ 283.105318 166.4
[M-H]- 259.108824 162.6
[M+NH4]+ 278.149923 172.4
[M+K]+ 299.079258 164.3
[M+H-H2O]+ 243.113360 149.0
[M+HCOO]- 305.114301 179.8
[M+CH3COO]- 319.129951 196.6
[M+Na-2H]- 281.090766 164.0
[M]+ 260.11555142 162.9
[M]- 260.11664858 162.9
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.