CID 9574474

5,7-dichloro-n-[(e)-(4-methoxy-1-naphthyl)methyleneamino]quinolin-4-amine

Structural Information

Molecular Formula
C21H15Cl2N3O
SMILES
COC1=CC=C(C2=CC=CC=C21)/C=N/NC3=C4C(=CC(=CC4=NC=C3)Cl)Cl
InChI
InChI=1S/C21H15Cl2N3O/c1-27-20-7-6-13(15-4-2-3-5-16(15)20)12-25-26-18-8-9-24-19-11-14(22)10-17(23)21(18)19/h2-12H,1H3,(H,24,26)/b25-12+
InChIKey
IJMNRPYVLJDTQJ-BRJLIKDPSA-N
Compound name
5,7-dichloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.0592 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06648 190.7
[M+Na]+ 418.04842 202.5
[M-H]- 394.05192 198.5
[M+NH4]+ 413.09302 204.4
[M+K]+ 434.02236 194.1
[M+H-H2O]+ 378.05646 181.2
[M+HCOO]- 440.05740 206.1
[M+CH3COO]- 454.07305 201.5
[M+Na-2H]- 416.03387 198.4
[M]+ 395.05865 198.4
[M]- 395.05975 198.4
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.