CID 487323

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

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=C(C=C(C=C1)OC2=C3C(=C(C=C2)N)C=CC=N3)C
InChI
InChI=1S/C17H16N2O/c1-11-5-6-13(10-12(11)2)20-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-10H,18H2,1-2H3
InChIKey
OSAPBEGESGOCGN-UHFFFAOYSA-N
Compound name
8-(3,4-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]+ 265.133526 161.6
[M+Na]+ 287.115468 171.2
[M-H]- 263.118974 168.1
[M+NH4]+ 282.160073 177.8
[M+K]+ 303.089408 165.9
[M+H-H2O]+ 247.123510 152.9
[M+HCOO]- 309.124451 184.0
[M+CH3COO]- 323.140101 173.9
[M+Na-2H]- 285.100916 167.8
[M]+ 264.12570142 162.3
[M]- 264.12679858 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.