CID 11594543

190728-25-7

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)N
InChI
InChI=1S/C17H16N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h3-10H,18H2,1-2H3
InChIKey
VXEQRXJATQUJSN-UHFFFAOYSA-N
Compound name
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

695
Patents

296.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.8
[M+Na]+ 319.10532 177.0
[M-H]- 295.10882 174.3
[M+NH4]+ 314.14992 182.4
[M+K]+ 335.07926 173.0
[M+H-H2O]+ 279.11336 158.5
[M+HCOO]- 341.11430 190.5
[M+CH3COO]- 355.12995 206.6
[M+Na-2H]- 317.09077 174.1
[M]+ 296.11555 171.3
[M]- 296.11665 171.3
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

patents stripe