CID 54593660

3-(quinolin-4-yloxy)aniline

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C2C(=C1)C(=CC=N2)OC3=CC=CC(=C3)N
InChI
InChI=1S/C15H12N2O/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,16H2
InChIKey
YVRKMBMIOAEBBG-UHFFFAOYSA-N
Compound name
3-quinolin-4-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 151.2
[M+Na]+ 259.08418 159.9
[M-H]- 235.08768 157.3
[M+NH4]+ 254.12878 167.9
[M+K]+ 275.05812 154.8
[M+H-H2O]+ 219.09222 142.6
[M+HCOO]- 281.09316 174.4
[M+CH3COO]- 295.10881 163.7
[M+Na-2H]- 257.06963 160.1
[M]+ 236.09441 150.4
[M]- 236.09551 150.4
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.