CID 44418607

Chembl443575

Structural Information

Molecular Formula
C19H20N4O
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC2=C3C=CC=C(C3=NC=C2)OC
InChI
InChI=1S/C19H20N4O/c1-23(2)15-9-7-14(8-10-15)13-21-22-17-11-12-20-19-16(17)5-4-6-18(19)24-3/h4-13H,1-3H3,(H,20,22)/b21-13+
InChIKey
KBKAEUJKEOYAHV-FYJGNVAPSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-8-methoxyquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

320.1637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 175.7
[M+Na]+ 343.15292 182.4
[M-H]- 319.15642 184.4
[M+NH4]+ 338.19752 189.9
[M+K]+ 359.12686 178.6
[M+H-H2O]+ 303.16096 165.0
[M+HCOO]- 365.16190 202.1
[M+CH3COO]- 379.17755 222.1
[M+Na-2H]- 341.13837 183.3
[M]+ 320.16315 178.4
[M]- 320.16425 178.4
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.