CID 24776771

2-(n-furan-2-yl-methylene-hydrazino)-quinoline-4-carboxylic acid hexylamide

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C3=CC=CO3
InChI
InChI=1S/C21H24N4O2/c1-2-3-4-7-12-22-21(26)18-14-20(24-19-11-6-5-10-17(18)19)25-23-15-16-9-8-13-27-16/h5-6,8-11,13-15H,2-4,7,12H2,1H3,(H,22,26)(H,24,25)/b23-15+
InChIKey
YILOTLUTTZNWPS-HZHRSRAPSA-N
Compound name
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-hexylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1899 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 188.2
[M+Na]+ 387.17912 193.9
[M-H]- 363.18262 196.2
[M+NH4]+ 382.22372 200.3
[M+K]+ 403.15306 189.8
[M+H-H2O]+ 347.18716 177.9
[M+HCOO]- 409.18810 214.2
[M+CH3COO]- 423.20375 224.7
[M+Na-2H]- 385.16457 194.0
[M]+ 364.18935 192.9
[M]- 364.19045 192.9
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.