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

3
Patents

181.06737 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07465 137.4
[M+Na]+ 204.05659 146.7
[M-H]- 180.06009 138.6
[M+NH4]+ 199.10119 155.3
[M+K]+ 220.03053 143.0
[M+H-H2O]+ 164.06463 130.6
[M+HCOO]- 226.06557 153.9
[M+CH3COO]- 240.08122 183.9
[M+Na-2H]- 202.04204 139.6
[M]+ 181.06682 137.8
[M]- 181.06792 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