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]+ 281.12848 164.2
[M+Na]+ 303.11042 172.7
[M-H]- 279.11392 170.3
[M+NH4]+ 298.15502 179.3
[M+K]+ 319.08436 167.9
[M+H-H2O]+ 263.11846 155.0
[M+HCOO]- 325.11940 186.8
[M+CH3COO]- 339.13505 176.0
[M+Na-2H]- 301.09587 171.2
[M]+ 280.12065 165.8
[M]- 280.12175 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.