CID 12213888

2,4-dimethoxybenzaldehyde (7-ethoxy-2-methylquinolin-4-yl)hydrazone

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)N/N=C/C3=C(C=C(C=C3)OC)OC)C
InChI
InChI=1S/C21H23N3O3/c1-5-27-17-8-9-18-19(11-17)23-14(2)10-20(18)24-22-13-15-6-7-16(25-3)12-21(15)26-4/h6-13H,5H2,1-4H3,(H,23,24)/b22-13+
InChIKey
CUDACBGAKKLUMQ-LPYMAVHISA-N
Compound name
N-[(E)-(2,4-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]+ 366.181226 188.5
[M+Na]+ 388.163168 196.4
[M-H]- 364.166674 196.2
[M+NH4]+ 383.207773 201.0
[M+K]+ 404.137108 192.4
[M+H-H2O]+ 348.171210 177.7
[M+HCOO]- 410.172151 212.9
[M+CH3COO]- 424.187801 226.4
[M+Na-2H]- 386.148616 193.7
[M]+ 365.17340142 194.9
[M]- 365.17449858 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.