CID 9604848

Chembl476583

Structural Information

Molecular Formula
C26H27N3O2
SMILES
CCCCOC1=CC2=C(C=C(N=C2C=C1)C)N/N=C/C3=C4C=CC=C(C4=CC=C3)OC
InChI
InChI=1S/C26H27N3O2/c1-4-5-14-31-20-12-13-24-23(16-20)25(15-18(2)28-24)29-27-17-19-8-6-10-22-21(19)9-7-11-26(22)30-3/h6-13,15-17H,4-5,14H2,1-3H3,(H,28,29)/b27-17+
InChIKey
JCMIWMAPQTUOEV-WPWMEQJKSA-N
Compound name
6-butoxy-N-[(E)-(5-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.21033 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 203.4
[M+Na]+ 436.19955 211.4
[M-H]- 412.20305 211.6
[M+NH4]+ 431.24415 214.6
[M+K]+ 452.17349 204.8
[M+H-H2O]+ 396.20759 191.4
[M+HCOO]- 458.20853 226.7
[M+CH3COO]- 472.22418 212.9
[M+Na-2H]- 434.18500 209.8
[M]+ 413.20978 209.8
[M]- 413.21088 209.8
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.