CID 3035355

2,2-di(2-pyridyl)thioacetamide dihydrochloride

Structural Information

Molecular Formula
C12H11N3S
SMILES
C1=CC=NC(=C1)C(C2=CC=CC=N2)C(=S)N
InChI
InChI=1S/C12H11N3S/c13-12(16)11(9-5-1-3-7-14-9)10-6-2-4-8-15-10/h1-8,11H,(H2,13,16)
InChIKey
USGYAOHRCQXKJC-UHFFFAOYSA-N
Compound name
2,2-dipyridin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06737 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07465 148.0
[M+Na]+ 252.05659 161.2
[M+NH4]+ 247.10119 156.5
[M+K]+ 268.03053 152.6
[M-H]- 228.06009 152.1
[M+Na-2H]- 250.04204 157.2
[M]+ 229.06682 151.5
[M]- 229.06792 151.5
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.