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]+ 232.05391 149.0
[M+Na]+ 254.03585 156.6
[M-H]- 230.03935 156.1
[M+NH4]+ 249.08045 167.7
[M+K]+ 270.00979 153.1
[M+H-H2O]+ 214.04389 140.9
[M+HCOO]- 276.04483 172.0
[M+CH3COO]- 290.06048 191.5
[M+Na-2H]- 252.02130 153.4
[M]+ 231.04608 150.4
[M]- 231.04718 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.