CID 45268472

Chembl562138

Structural Information

Molecular Formula
C22H19N3O
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)N/N=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H19N3O/c1-15-13-20(19-11-6-12-21(26-2)22(19)24-15)25-23-14-17-9-5-8-16-7-3-4-10-18(16)17/h3-14H,1-2H3,(H,24,25)/b23-14+
InChIKey
LAYNXCHJELKMOF-OEAKJJBVSA-N
Compound name
8-methoxy-2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1528 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16008 181.1
[M+Na]+ 364.14202 190.4
[M-H]- 340.14552 189.8
[M+NH4]+ 359.18662 195.2
[M+K]+ 380.11596 183.8
[M+H-H2O]+ 324.15006 170.2
[M+HCOO]- 386.15100 205.8
[M+CH3COO]- 400.16665 192.4
[M+Na-2H]- 362.12747 190.5
[M]+ 341.15225 184.6
[M]- 341.15335 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

No patent data available for this compound.