CID 506605

N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C9H7N3OS
SMILES
C1=CC(=CN=C1)C(=O)NC2=NC=CS2
InChI
InChI=1S/C9H7N3OS/c13-8(7-2-1-3-10-6-7)12-9-11-4-5-14-9/h1-6H,(H,11,12,13)
InChIKey
XOXGTZLXSYSIRP-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

205.03099 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03827 140.9
[M+Na]+ 228.02021 149.6
[M-H]- 204.02371 145.7
[M+NH4]+ 223.06481 159.1
[M+K]+ 243.99415 146.3
[M+H-H2O]+ 188.02825 133.1
[M+HCOO]- 250.02919 160.7
[M+CH3COO]- 264.04484 154.0
[M+Na-2H]- 226.00566 145.2
[M]+ 205.03044 141.8
[M]- 205.03154 141.8
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