CID 487326

8-(4-chloro-3,5-dimethylphenoxy)-5-quinolylamine

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC1=CC(=CC(=C1Cl)C)OC2=C3C(=C(C=C2)N)C=CC=N3
InChI
InChI=1S/C17H15ClN2O/c1-10-8-12(9-11(2)16(10)18)21-15-6-5-14(19)13-4-3-7-20-17(13)15/h3-9H,19H2,1-2H3
InChIKey
RDARWYRUJXCWNS-UHFFFAOYSA-N
Compound name
8-(4-chloro-3,5-dimethylphenoxy)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08728 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 168.8
[M+Na]+ 321.07650 180.0
[M-H]- 297.08000 175.3
[M+NH4]+ 316.12110 184.7
[M+K]+ 337.05044 173.2
[M+H-H2O]+ 281.08454 160.8
[M+HCOO]- 343.08548 186.5
[M+CH3COO]- 357.10113 180.9
[M+Na-2H]- 319.06195 173.6
[M]+ 298.08673 172.1
[M]- 298.08783 172.1
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.