CID 9570924

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

Structural Information

Molecular Formula
C17H21N3OS
SMILES
CCCCCC/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CS2
InChI
InChI=1S/C17H21N3OS/c1-2-3-4-5-7-15(16-8-6-13-22-16)19-20-17(21)14-9-11-18-12-10-14/h6,8-13H,2-5,7H2,1H3,(H,20,21)/b19-15+
InChIKey
FMURNPCFJXPCBB-XDJHFCHBSA-N
Compound name
N-[(E)-1-thiophen-2-ylheptylideneamino]pyridine-4-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

Adduct m/z Predicted CCS (Ų)
[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
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.