CID 208591

32532-45-9

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CCN=C(NC1=CN(C(=O)N(C1=O)C)C)SC
InChI
InChI=1S/C10H16N4O2S/c1-5-11-9(17-4)12-7-6-13(2)10(16)14(3)8(7)15/h6H,5H2,1-4H3,(H,11,12)
InChIKey
KHIRWMUKNQQLSA-UHFFFAOYSA-N
Compound name
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-ethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0994 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 156.1
[M+Na]+ 279.08862 166.1
[M-H]- 255.09212 159.5
[M+NH4]+ 274.13322 172.0
[M+K]+ 295.06256 162.7
[M+H-H2O]+ 239.09666 148.3
[M+HCOO]- 301.09760 175.7
[M+CH3COO]- 315.11325 201.2
[M+Na-2H]- 277.07407 157.8
[M]+ 256.09885 161.1
[M]- 256.09995 161.1
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.