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

15
Patents

199.04155 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04883 139.7
[M+Na]+ 222.03077 149.0
[M-H]- 198.03427 140.9
[M+NH4]+ 217.07537 156.6
[M+K]+ 238.00471 146.4
[M+H-H2O]+ 182.03881 132.6
[M+HCOO]- 244.03975 157.0
[M+CH3COO]- 258.05540 185.0
[M+Na-2H]- 220.01622 142.5
[M]+ 199.04100 142.5
[M]- 199.04210 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