CID 12213930

2,4,5-trimethoxybenzaldehyde (7-ethoxy-2-methylquinolin-4-yl)hydrazone

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)N/N=C/C3=CC(=C(C=C3OC)OC)OC)C
InChI
InChI=1S/C22H25N3O4/c1-6-29-16-7-8-17-18(11-16)24-14(2)9-19(17)25-23-13-15-10-21(27-4)22(28-5)12-20(15)26-3/h7-13H,6H2,1-5H3,(H,24,25)/b23-13+
InChIKey
SMJAMHZOFUQKGF-YDZHTSKRSA-N
Compound name
7-ethoxy-2-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.1845 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 196.3
[M+Na]+ 418.17372 204.4
[M-H]- 394.17722 204.3
[M+NH4]+ 413.21832 207.7
[M+K]+ 434.14766 201.0
[M+H-H2O]+ 378.18176 185.3
[M+HCOO]- 440.18270 220.5
[M+CH3COO]- 454.19835 232.8
[M+Na-2H]- 416.15917 200.4
[M]+ 395.18395 204.8
[M]- 395.18505 204.8
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.