CID 208604

32557-80-5

Structural Information

Molecular Formula
C9H14N4O2S
SMILES
CN=C(NC1=CN(C(=O)N(C1=O)C)C)SC
InChI
InChI=1S/C9H14N4O2S/c1-10-8(16-4)11-6-5-12(2)9(15)13(3)7(6)14/h5H,1-4H3,(H,10,11)
InChIKey
YFDQHYQROJXFLD-UHFFFAOYSA-N
Compound name
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-methylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08374 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09102 151.7
[M+Na]+ 265.07296 162.1
[M-H]- 241.07646 155.3
[M+NH4]+ 260.11756 168.2
[M+K]+ 281.04690 159.0
[M+H-H2O]+ 225.08100 144.1
[M+HCOO]- 287.08194 171.6
[M+CH3COO]- 301.09759 198.2
[M+Na-2H]- 263.05841 153.9
[M]+ 242.08319 156.4
[M]- 242.08429 156.4
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

No patent data available for this compound.