CID 9570876

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

Structural Information

Molecular Formula
C13H13N3OS
SMILES
CC/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=CS2
InChI
InChI=1S/C13H13N3OS/c1-2-11(12-6-4-8-18-12)15-16-13(17)10-5-3-7-14-9-10/h3-9H,2H2,1H3,(H,16,17)/b15-11+
InChIKey
FAKNKUGKORAMQI-RVDMUPIBSA-N
Compound name
N-[(E)-1-thiophen-2-ylpropylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07794 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.085216 158.7
[M+Na]+ 282.067158 165.0
[M-H]- 258.070664 165.6
[M+NH4]+ 277.111763 176.2
[M+K]+ 298.041098 161.6
[M+H-H2O]+ 242.075200 150.3
[M+HCOO]- 304.076141 179.9
[M+CH3COO]- 318.091791 198.3
[M+Na-2H]- 280.052606 161.0
[M]+ 259.07739142 160.2
[M]- 259.07848858 160.2
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.