CID 451985

Pyrimidine, 4-chloro-2-methoxy-6-((4-methoxyphenyl)methyl)-

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
COC1=CC=C(C=C1)CC2=CC(=NC(=N2)OC)Cl
InChI
InChI=1S/C13H13ClN2O2/c1-17-11-5-3-9(4-6-11)7-10-8-12(14)16-13(15-10)18-2/h3-6,8H,7H2,1-2H3
InChIKey
ZIKQZQBVRZHPGS-UHFFFAOYSA-N
Compound name
4-chloro-2-methoxy-6-[(4-methoxyphenyl)methyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06656 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 156.2
[M+Na]+ 287.05578 166.6
[M-H]- 263.05928 160.5
[M+NH4]+ 282.10038 171.2
[M+K]+ 303.02972 162.0
[M+H-H2O]+ 247.06382 147.7
[M+HCOO]- 309.06476 173.9
[M+CH3COO]- 323.08041 195.6
[M+Na-2H]- 285.04123 162.2
[M]+ 264.06601 161.8
[M]- 264.06711 161.8
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.