CID 9555480

Nsc332417

Structural Information

Molecular Formula
C22H18FN3O
SMILES
CC1=CC(=C2C=C(C=CC2=N1)F)N/N=C/C3=CC=C(C4=CC=CC=C34)OC
InChI
InChI=1S/C22H18FN3O/c1-14-11-21(19-12-16(23)8-9-20(19)25-14)26-24-13-15-7-10-22(27-2)18-6-4-3-5-17(15)18/h3-13H,1-2H3,(H,25,26)/b24-13+
InChIKey
ZYTXJKDPCSHKCV-ZMOGYAJESA-N
Compound name
6-fluoro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.1434 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15068 185.5
[M+Na]+ 382.13262 195.8
[M-H]- 358.13612 193.2
[M+NH4]+ 377.17722 199.1
[M+K]+ 398.10656 188.7
[M+H-H2O]+ 342.14066 173.7
[M+HCOO]- 404.14160 209.1
[M+CH3COO]- 418.15725 196.5
[M+Na-2H]- 380.11807 193.4
[M]+ 359.14285 188.4
[M]- 359.14395 188.5
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.