CID 16074566

915774-26-4

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CC1=CC=C(C=C1)OC2=C(C=CC(=C2)NC3=NC=CC(=N3)OC)Cl
InChI
InChI=1S/C18H16ClN3O2/c1-12-3-6-14(7-4-12)24-16-11-13(5-8-15(16)19)21-18-20-10-9-17(22-18)23-2/h3-11H,1-2H3,(H,20,21,22)
InChIKey
MMPNTUVBNOZFPE-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(4-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]+ 342.10038 178.6
[M+Na]+ 364.08232 188.1
[M-H]- 340.08582 185.9
[M+NH4]+ 359.12692 189.8
[M+K]+ 380.05626 181.7
[M+H-H2O]+ 324.09036 168.0
[M+HCOO]- 386.09130 196.8
[M+CH3COO]- 400.10695 189.5
[M+Na-2H]- 362.06777 184.1
[M]+ 341.09255 183.2
[M]- 341.09365 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.