CID 3038162

2-pyridineacetamide, 4-methoxythio-

Structural Information

Molecular Formula
C8H10N2OS
SMILES
COC1=CC(=NC=C1)CC(=S)N
InChI
InChI=1S/C8H10N2OS/c1-11-7-2-3-10-6(4-7)5-8(9)12/h2-4H,5H2,1H3,(H2,9,12)
InChIKey
ZLCXVOBIFUBEKC-UHFFFAOYSA-N
Compound name
2-(4-methoxy-2-pyridinyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.05139 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 136.7
[M+Na]+ 205.040608 144.8
[M-H]- 181.044114 138.9
[M+NH4]+ 200.085213 155.4
[M+K]+ 221.014548 141.8
[M+H-H2O]+ 165.048650 130.1
[M+HCOO]- 227.049591 154.7
[M+CH3COO]- 241.065241 182.0
[M+Na-2H]- 203.026056 139.6
[M]+ 182.05084142 137.6
[M]- 182.05193858 137.6
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

patents stripe