CID 208394

Alpha-isopropylthio-2-pyridineacetamide hydrochloride

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC(C)SC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C10H14N2OS/c1-7(2)14-9(10(11)13)8-5-3-4-6-12-8/h3-7,9H,1-2H3,(H2,11,13)
InChIKey
QRVHLOMARBCDCT-UHFFFAOYSA-N
Compound name
2-propan-2-ylsulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08269 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 146.5
[M+Na]+ 233.07191 152.2
[M-H]- 209.07541 148.0
[M+NH4]+ 228.11651 163.6
[M+K]+ 249.04585 149.7
[M+H-H2O]+ 193.07995 139.4
[M+HCOO]- 255.08089 161.7
[M+CH3COO]- 269.09654 188.6
[M+Na-2H]- 231.05736 146.8
[M]+ 210.08214 146.5
[M]- 210.08324 146.5
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.