CID 58282701

4,6-dimethoxy-pyrimidin-2-carbothioic acid amide

Structural Information

Molecular Formula
C7H9N3O2S
SMILES
COC1=CC(=NC(=N1)C(=S)N)OC
InChI
InChI=1S/C7H9N3O2S/c1-11-4-3-5(12-2)10-7(9-4)6(8)13/h3H,1-2H3,(H2,8,13)
InChIKey
XWACKXWINHPLTR-UHFFFAOYSA-N
Compound name
4,6-dimethoxypyrimidine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

199.04155 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.048826 139.7
[M+Na]+ 222.030768 149.0
[M-H]- 198.034274 140.9
[M+NH4]+ 217.075373 156.6
[M+K]+ 238.004708 146.4
[M+H-H2O]+ 182.038810 132.6
[M+HCOO]- 244.039751 157.0
[M+CH3COO]- 258.055401 185.0
[M+Na-2H]- 220.016216 142.5
[M]+ 199.04100142 142.5
[M]- 199.04209858 142.5
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

patents stripe