CID 45272693

Chembl559046

Structural Information

Molecular Formula
C17H15N3O
SMILES
COC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O/c1-21-14-7-8-15-16(9-10-18-17(15)11-14)20-19-12-13-5-3-2-4-6-13/h2-12H,1H3,(H,18,20)/b19-12+
InChIKey
FDYJTSIXUHRWSX-XDHOZWIPSA-N
Compound name
N-[(E)-benzylideneamino]-7-methoxyquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.12152 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 162.0
[M+Na]+ 300.11074 169.6
[M-H]- 276.11424 169.4
[M+NH4]+ 295.15534 177.5
[M+K]+ 316.08468 164.7
[M+H-H2O]+ 260.11878 152.2
[M+HCOO]- 322.11972 187.7
[M+CH3COO]- 336.13537 174.0
[M+Na-2H]- 298.09619 171.8
[M]+ 277.12097 163.1
[M]- 277.12207 163.1
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.