CID 12213857

2,5-dimethoxybenzaldehyde [7-(2-hydroxyethyl)-2-methylquinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)N/N=C/C3=C(C=CC(=C3)OC)OC)C
InChI
InChI=1S/C21H23N3O3/c1-5-27-17-6-8-18-19(12-17)23-14(2)10-20(18)24-22-13-15-11-16(25-3)7-9-21(15)26-4/h6-13H,5H2,1-4H3,(H,23,24)/b22-13+
InChIKey
PZXRCIAVCUFDIP-LPYMAVHISA-N
Compound name
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-7-ethoxy-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 188.5
[M+Na]+ 388.16317 196.4
[M-H]- 364.16667 196.2
[M+NH4]+ 383.20777 201.0
[M+K]+ 404.13711 192.4
[M+H-H2O]+ 348.17121 177.7
[M+HCOO]- 410.17215 212.9
[M+CH3COO]- 424.18780 226.4
[M+Na-2H]- 386.14862 193.7
[M]+ 365.17340 194.9
[M]- 365.17450 194.9
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.