CID 9570925

Nicotinic acid, (alpha-hexyl-2-thenylidene)hydrazide

Structural Information

Molecular Formula

C₁₇H₂₁N₃OS

SMILES

CCCCCC/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=CS2

InChI

InChI=1S/C17H21N3OS/c1-2-3-4-5-9-15(16-10-7-12-22-16)19-20-17(21)14-8-6-11-18-13-14/h6-8,10-13H,2-5,9H2,1H3,(H,20,21)/b19-15+

InChIKey

CSYPCPMWBSMJDM-XDJHFCHBSA-N

Compound name

N-[(E)-1-thiophen-2-ylheptylideneamino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.14053 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.147806	176.1
[M+Na]+	338.129748	180.6
[M-H]-	314.133254	182.2
[M+NH4]+	333.174353	191.3
[M+K]+	354.103688	176.3
[M+H-H2O]+	298.137790	166.9
[M+HCOO]-	360.138731	196.0
[M+CH3COO]-	374.154381	210.2
[M+Na-2H]-	336.115196	176.5
[M]+	315.13998142	178.9
[M]-	315.14107858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.