CID 5469562

Isonicotinic acid, 2-thenylidenehydrazide

Structural Information

Molecular Formula
C11H9N3OS
SMILES
C1=CSC(=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C11H9N3OS/c15-11(9-3-5-12-6-4-9)14-13-8-10-2-1-7-16-10/h1-8H,(H,14,15)/b13-8+
InChIKey
VQHKTXKJAYPSHY-MDWZMJQESA-N
Compound name
N-[(E)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

231.04663 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.053906 149.0
[M+Na]+ 254.035848 156.6
[M-H]- 230.039354 156.1
[M+NH4]+ 249.080453 167.7
[M+K]+ 270.009788 153.1
[M+H-H2O]+ 214.043890 140.9
[M+HCOO]- 276.044831 172.0
[M+CH3COO]- 290.060481 191.5
[M+Na-2H]- 252.021296 153.4
[M]+ 231.04608142 150.4
[M]- 231.04717858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe