CID 750538

N-(pyridin-2-yl)pyridine-2-carbothioamide

Structural Information

Molecular Formula
C11H9N3S
SMILES
C1=CC=NC(=C1)C(=S)NC2=CC=CC=N2
InChI
InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)
InChIKey
UGWOJXZJIZUKDP-UHFFFAOYSA-N
Compound name
N-pyridin-2-ylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

69
Patents

215.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05899 144.0
[M+Na]+ 238.04093 151.9
[M-H]- 214.04443 148.2
[M+NH4]+ 233.08553 159.9
[M+K]+ 254.01487 146.9
[M+H-H2O]+ 198.04897 135.7
[M+HCOO]- 260.04991 162.0
[M+CH3COO]- 274.06556 156.1
[M+Na-2H]- 236.02638 150.2
[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