CID 53330117

4-(quinolin-4-yloxy)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
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

patents stripe