CID 12213928

Chembl408323

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)N/N=C/C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C20H21N3O2/c1-4-25-17-9-10-18-19(12-17)22-14(2)11-20(18)23-21-13-15-5-7-16(24-3)8-6-15/h5-13H,4H2,1-3H3,(H,22,23)/b21-13+
InChIKey
SEOSEBZSTUFFAK-FYJGNVAPSA-N
Compound name
7-ethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

335.1634 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.3
[M+Na]+ 358.15262 188.1
[M-H]- 334.15612 188.0
[M+NH4]+ 353.19722 193.9
[M+K]+ 374.12656 183.4
[M+H-H2O]+ 318.16066 169.9
[M+HCOO]- 380.16160 205.1
[M+CH3COO]- 394.17725 220.0
[M+Na-2H]- 356.13807 186.9
[M]+ 335.16285 184.6
[M]- 335.16395 184.6
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

patents stripe