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]+ 322.15502 174.9
[M+Na]+ 344.13696 182.3
[M-H]- 320.14046 182.3
[M+NH4]+ 339.18156 188.8
[M+K]+ 360.11090 177.7
[M+H-H2O]+ 304.14500 164.6
[M+HCOO]- 366.14594 200.1
[M+CH3COO]- 380.16159 215.8
[M+Na-2H]- 342.12241 182.8
[M]+ 321.14719 178.5
[M]- 321.14829 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.