CID 44596215

Chembl538952

Structural Information

Molecular Formula
C22H19N3O2
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)/C=N/NC3=C4C=CC(=CC4=NC=C3)OC
InChI
InChI=1S/C22H19N3O2/c1-26-18-6-5-16-11-15(3-4-17(16)12-18)14-24-25-21-9-10-23-22-13-19(27-2)7-8-20(21)22/h3-14H,1-2H3,(H,23,25)/b24-14+
InChIKey
WLNPDRNFRDULLR-ZVHZXABRSA-N
Compound name
7-methoxy-N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

357.14774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 184.1
[M+Na]+ 380.13696 193.1
[M-H]- 356.14046 192.8
[M+NH4]+ 375.18156 197.4
[M+K]+ 396.11090 187.3
[M+H-H2O]+ 340.14500 172.9
[M+HCOO]- 402.14594 209.0
[M+CH3COO]- 416.16159 195.2
[M+Na-2H]- 378.12241 193.6
[M]+ 357.14719 188.9
[M]- 357.14829 188.9
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.