CID 3038303

2-pyrimidineacetamide, 4,6-dimethylthio-

Structural Information

Molecular Formula
C8H11N3S
SMILES
CC1=CC(=NC(=N1)CC(=S)N)C
InChI
InChI=1S/C8H11N3S/c1-5-3-6(2)11-8(10-5)4-7(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKey
BQWHELSEMLNEEF-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

181.06737 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.074646 137.4
[M+Na]+ 204.056588 146.7
[M-H]- 180.060094 138.6
[M+NH4]+ 199.101193 155.3
[M+K]+ 220.030528 143.0
[M+H-H2O]+ 164.064630 130.6
[M+HCOO]- 226.065571 153.9
[M+CH3COO]- 240.081221 183.9
[M+Na-2H]- 202.042036 139.6
[M]+ 181.06682142 137.8
[M]- 181.06791858 137.8
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