CID 24776770

N-hexyl-2-[(2e)-2-(4-pyridylmethylene)hydrazino]quinoline-4-carboxamide

Structural Information

Molecular Formula
C22H25N5O
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C3=CC=NC=C3
InChI
InChI=1S/C22H25N5O/c1-2-3-4-7-12-24-22(28)19-15-21(26-20-9-6-5-8-18(19)20)27-25-16-17-10-13-23-14-11-17/h5-6,8-11,13-16H,2-4,7,12H2,1H3,(H,24,28)(H,26,27)/b25-16+
InChIKey
IEHJZRVGPKBVLJ-PCLIKHOPSA-N
Compound name
N-hexyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2059 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 190.8
[M+Na]+ 398.19512 195.1
[M-H]- 374.19862 195.9
[M+NH4]+ 393.23972 200.3
[M+K]+ 414.16906 189.0
[M+H-H2O]+ 358.20316 178.9
[M+HCOO]- 420.20410 213.6
[M+CH3COO]- 434.21975 228.6
[M+Na-2H]- 396.18057 197.7
[M]+ 375.20535 192.0
[M]- 375.20645 192.0
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.