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]+ 261.12338 158.5
[M+Na]+ 283.10532 166.4
[M-H]- 259.10882 162.6
[M+NH4]+ 278.14992 172.4
[M+K]+ 299.07926 164.3
[M+H-H2O]+ 243.11336 149.0
[M+HCOO]- 305.11430 179.8
[M+CH3COO]- 319.12995 196.6
[M+Na-2H]- 281.09077 164.0
[M]+ 260.11555 162.9
[M]- 260.11665 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.