CID 16074564

915774-24-2

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CC1=CC=CC=C1OC2=C(C=CC(=C2)NC3=NC=CC(=N3)OC)Cl
InChI
InChI=1S/C18H16ClN3O2/c1-12-5-3-4-6-15(12)24-16-11-13(7-8-14(16)19)21-18-20-10-9-17(22-18)23-2/h3-11H,1-2H3,(H,20,21,22)
InChIKey
MLEOIVVWHHWZRH-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(2-methylphenoxy)phenyl]-4-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.0931 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.100376 178.6
[M+Na]+ 364.082318 188.1
[M-H]- 340.085824 185.9
[M+NH4]+ 359.126923 189.8
[M+K]+ 380.056258 181.7
[M+H-H2O]+ 324.090360 168.0
[M+HCOO]- 386.091301 196.8
[M+CH3COO]- 400.106951 189.5
[M+Na-2H]- 362.067766 184.1
[M]+ 341.09255142 183.2
[M]- 341.09364858 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.