CID 487321

8-(2,4-dimethylphenoxy)quinolin-5-amine

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC(=C(C=C1)OC2=C3C(=C(C=C2)N)C=CC=N3)C
InChI
InChI=1S/C17H16N2O/c1-11-5-7-15(12(2)10-11)20-16-8-6-14(18)13-4-3-9-19-17(13)16/h3-10H,18H2,1-2H3
InChIKey
GLCJPBYCJQATPT-UHFFFAOYSA-N
Compound name
8-(2,4-dimethylphenoxy)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.6
[M+Na]+ 287.11547 171.2
[M-H]- 263.11897 168.1
[M+NH4]+ 282.16007 177.8
[M+K]+ 303.08941 165.9
[M+H-H2O]+ 247.12351 152.9
[M+HCOO]- 309.12445 184.0
[M+CH3COO]- 323.14010 173.9
[M+Na-2H]- 285.10092 167.8
[M]+ 264.12570 162.3
[M]- 264.12680 162.3
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.