CID 45267587

Chembl560274

Structural Information

Molecular Formula
C21H17N3O
SMILES
COC1=CC=CC2=C(C=CN=C21)N/N=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H17N3O/c1-25-20-11-5-10-18-19(12-13-22-21(18)20)24-23-14-16-8-4-7-15-6-2-3-9-17(15)16/h2-14H,1H3,(H,22,24)/b23-14+
InChIKey
ILEGUEIPXWKHDI-OEAKJJBVSA-N
Compound name
8-methoxy-N-[(E)-naphthalen-1-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.13718 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 175.3
[M+Na]+ 350.12640 184.2
[M-H]- 326.12990 183.8
[M+NH4]+ 345.17100 189.7
[M+K]+ 366.10034 177.7
[M+H-H2O]+ 310.13444 164.5
[M+HCOO]- 372.13538 200.5
[M+CH3COO]- 386.15103 186.8
[M+Na-2H]- 348.11185 186.1
[M]+ 327.13663 178.1
[M]- 327.13773 178.1
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.