CID 5402000

151672-21-8

Structural Information

Molecular Formula
C11H9N3OS
SMILES
C1=CC=NC(=C1)C(=O)N/N=C\C2=CC=CS2
InChI
InChI=1S/C11H9N3OS/c15-11(10-5-1-2-6-12-10)14-13-8-9-4-3-7-16-9/h1-8H,(H,14,15)/b13-8-
InChIKey
CUYQLXSARFEJEG-JYRVWZFOSA-N
Compound name
N-[(Z)-thiophen-2-ylmethylideneamino]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.