CID 16074563

915774-23-1

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
COC1=NC(=NC=C1)NC2=CC(=C(C=C2)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C17H14ClN3O2/c1-22-16-9-10-19-17(21-16)20-12-7-8-14(18)15(11-12)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKey
KVZRMGMFFKQAKD-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-phenoxyphenyl)-4-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

327.07745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 173.4
[M+Na]+ 350.06667 182.4
[M-H]- 326.07017 180.4
[M+NH4]+ 345.11127 184.8
[M+K]+ 366.04061 176.1
[M+H-H2O]+ 310.07471 162.7
[M+HCOO]- 372.07565 192.0
[M+CH3COO]- 386.09130 184.4
[M+Na-2H]- 348.05212 180.2
[M]+ 327.07690 177.2
[M]- 327.07800 177.2
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.