CID 24776773

2-(n'-benzylidene-hydrazino)-quinoline-4-carboxylic acid hexylamide

Structural Information

Molecular Formula
C23H26N4O
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C23H26N4O/c1-2-3-4-10-15-24-23(28)20-16-22(26-21-14-9-8-13-19(20)21)27-25-17-18-11-6-5-7-12-18/h5-9,11-14,16-17H,2-4,10,15H2,1H3,(H,24,28)(H,26,27)/b25-17+
InChIKey
WWOIKNYIRCTVBS-KOEQRZSOSA-N
Compound name
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.21066 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21794 191.1
[M+Na]+ 397.19988 195.0
[M-H]- 373.20338 197.4
[M+NH4]+ 392.24448 202.1
[M+K]+ 413.17382 189.0
[M+H-H2O]+ 357.20792 179.9
[M+HCOO]- 419.20886 214.9
[M+CH3COO]- 433.22451 228.9
[M+Na-2H]- 395.18533 197.1
[M]+ 374.21011 192.2
[M]- 374.21121 192.2
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.