CID 45271825

Chembl550931

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCOC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H19N3O2/c1-3-24-16-8-9-17-18(10-11-20-19(17)12-16)22-21-13-14-4-6-15(23-2)7-5-14/h4-13H,3H2,1-2H3,(H,20,22)/b21-13+
InChIKey
OJUNWTQCALXNAD-FYJGNVAPSA-N
Compound name
7-ethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.14774 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 174.9
[M+Na]+ 344.136958 182.3
[M-H]- 320.140464 182.3
[M+NH4]+ 339.181563 188.8
[M+K]+ 360.110898 177.7
[M+H-H2O]+ 304.145000 164.6
[M+HCOO]- 366.145941 200.1
[M+CH3COO]- 380.161591 215.8
[M+Na-2H]- 342.122406 182.8
[M]+ 321.14719142 178.5
[M]- 321.14828858 178.5
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.