CID 24777125

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

Structural Information

Molecular Formula
C23H19N5O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=CC=NC=C4
InChI
InChI=1S/C23H19N5O/c29-23(25-15-17-6-2-1-3-7-17)20-14-22(27-21-9-5-4-8-19(20)21)28-26-16-18-10-12-24-13-11-18/h1-14,16H,15H2,(H,25,29)(H,27,28)/b26-16+
InChIKey
LMCBHPQKKVTXFS-WGOQTCKBSA-N
Compound name
N-benzyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15897 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16625 188.8
[M+Na]+ 404.14819 193.8
[M-H]- 380.15169 197.1
[M+NH4]+ 399.19279 197.2
[M+K]+ 420.12213 186.8
[M+H-H2O]+ 364.15623 176.0
[M+HCOO]- 426.15717 212.2
[M+CH3COO]- 440.17282 197.4
[M+Na-2H]- 402.13364 197.8
[M]+ 381.15842 187.6
[M]- 381.15952 187.6
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.