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]+ 303.12588 170.7
[M+Na]+ 325.10782 176.9
[M-H]- 301.11132 177.6
[M+NH4]+ 320.15242 184.2
[M+K]+ 341.08176 170.5
[M+H-H2O]+ 285.11586 161.4
[M+HCOO]- 347.11680 185.7
[M+CH3COO]- 361.13245 180.7
[M+Na-2H]- 323.09327 173.2
[M]+ 302.11805 167.5
[M]- 302.11915 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.