CID 2800170

6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
C1CCC(CC1)C2=C(C=CC(=C2)Cl)OC3=NC=C(C=C3)N
InChI
InChI=1S/C17H19ClN2O/c18-13-6-8-16(21-17-9-7-14(19)11-20-17)15(10-13)12-4-2-1-3-5-12/h6-12H,1-5,19H2
InChIKey
SCGUDKCEFAZIKN-UHFFFAOYSA-N
Compound name
6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

302.1186 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.125876 170.7
[M+Na]+ 325.107818 176.9
[M-H]- 301.111324 177.6
[M+NH4]+ 320.152423 184.2
[M+K]+ 341.081758 170.5
[M+H-H2O]+ 285.115860 161.4
[M+HCOO]- 347.116801 185.7
[M+CH3COO]- 361.132451 180.7
[M+Na-2H]- 323.093266 173.2
[M]+ 302.11805142 167.5
[M]- 302.11914858 167.5
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.