CID 45267566

Chembl562272

Structural Information

Molecular Formula
C17H16N4O
SMILES
CCOC1=CC2=NC=CC(=C2C=C1)N/N=C/C3=CC=NC=C3
InChI
InChI=1S/C17H16N4O/c1-2-22-14-3-4-15-16(7-10-19-17(15)11-14)21-20-12-13-5-8-18-9-6-13/h3-12H,2H2,1H3,(H,19,21)/b20-12+
InChIKey
SILDEUFEGIYQKJ-UDWIEESQSA-N
Compound name
7-ethoxy-N-[(E)-pyridin-4-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.13242 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 166.7
[M+Na]+ 315.12164 174.2
[M-H]- 291.12514 172.6
[M+NH4]+ 310.16624 180.1
[M+K]+ 331.09558 169.0
[M+H-H2O]+ 275.12968 155.9
[M+HCOO]- 337.13062 191.0
[M+CH3COO]- 351.14627 177.8
[M+Na-2H]- 313.10709 176.6
[M]+ 292.13187 168.2
[M]- 292.13297 168.2
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.