CID 16072507

4-quinolinecarboxaldehyde, 2-cyclohexyl-, (2-fluorophenyl)hydrazone

Structural Information

Molecular Formula
C22H22FN3
SMILES
C1CCC(CC1)C2=NC3=CC=CC=C3C(=C2)/C=N\NC4=CC=CC=C4F
InChI
InChI=1S/C22H22FN3/c23-19-11-5-7-13-21(19)26-24-15-17-14-22(16-8-2-1-3-9-16)25-20-12-6-4-10-18(17)20/h4-7,10-16,26H,1-3,8-9H2/b24-15-
InChIKey
DFPJVOAKUHEUDC-IWIPYMOSSA-N
Compound name
N-[(Z)-(2-cyclohexylquinolin-4-yl)methylideneamino]-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.17978 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18706 182.0
[M+Na]+ 370.16900 186.5
[M-H]- 346.17250 189.6
[M+NH4]+ 365.21360 193.9
[M+K]+ 386.14294 179.3
[M+H-H2O]+ 330.17704 169.4
[M+HCOO]- 392.17798 201.5
[M+CH3COO]- 406.19363 190.7
[M+Na-2H]- 368.15445 186.9
[M]+ 347.17923 175.7
[M]- 347.18033 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.