CID 28773263

1042626-49-2

Structural Information

Molecular Formula
C17H16N2O2
SMILES
COC1=C(C=C(C=C1)N)OCC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H16N2O2/c1-20-16-9-7-13(18)10-17(16)21-11-14-8-6-12-4-2-3-5-15(12)19-14/h2-10H,11,18H2,1H3
InChIKey
CWXMAMANXYYOFO-UHFFFAOYSA-N
Compound name
4-methoxy-3-(quinolin-2-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.2
[M+Na]+ 303.110418 172.7
[M-H]- 279.113924 170.3
[M+NH4]+ 298.155023 179.3
[M+K]+ 319.084358 167.9
[M+H-H2O]+ 263.118460 155.0
[M+HCOO]- 325.119401 186.8
[M+CH3COO]- 339.135051 176.0
[M+Na-2H]- 301.095866 171.2
[M]+ 280.12065142 165.8
[M]- 280.12174858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.