CID 3034633

2,2'-bipyridyl-6-carbothioamide

Structural Information

Molecular Formula
C11H9N3S
SMILES
C1=CC=NC(=C1)C2=NC(=CC=C2)C(=S)N
InChI
InChI=1S/C11H9N3S/c12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8/h1-7H,(H2,12,15)
InChIKey
KZSRBEDGZFDJKC-UHFFFAOYSA-N
Compound name
6-pyridin-2-ylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

34
Patents

215.05171 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05899 144.5
[M+Na]+ 238.04093 153.2
[M-H]- 214.04443 148.5
[M+NH4]+ 233.08553 160.3
[M+K]+ 254.01487 147.8
[M+H-H2O]+ 198.04897 136.4
[M+HCOO]- 260.04991 161.8
[M+CH3COO]- 274.06556 156.6
[M+Na-2H]- 236.02638 148.9
[M]+ 215.05116 143.2
[M]- 215.05226 143.2
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