CID 208401

Alpha-2-pyridylthiopyrazineacetamide

Structural Information

Molecular Formula
C11H10N4OS
SMILES
C1=CC=NC(=C1)SC(C2=NC=CN=C2)C(=O)N
InChI
InChI=1S/C11H10N4OS/c12-11(16)10(8-7-13-5-6-14-8)17-9-3-1-2-4-15-9/h1-7,10H,(H2,12,16)
InChIKey
RTUHLVQGLCZXJU-UHFFFAOYSA-N
Compound name
2-pyrazin-2-yl-2-pyridin-2-ylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.05753 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06481 151.7
[M+Na]+ 269.04675 159.0
[M-H]- 245.05025 153.9
[M+NH4]+ 264.09135 164.3
[M+K]+ 285.02069 154.4
[M+H-H2O]+ 229.05479 142.6
[M+HCOO]- 291.05573 166.9
[M+CH3COO]- 305.07138 162.4
[M+Na-2H]- 267.03220 156.0
[M]+ 246.05698 151.2
[M]- 246.05808 151.2
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.