CID 3038167

1-methyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-2-thiourea

Structural Information

Molecular Formula
C8H12N4O2S
SMILES
CNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C8H12N4O2S/c1-9-7(15)10-5-4-6(13)12(3)8(14)11(5)2/h4H,1-3H3,(H2,9,10,15)
InChIKey
NNSZVMNYFJLNGU-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.0681 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07538 147.6
[M+Na]+ 251.05732 157.9
[M-H]- 227.06082 149.9
[M+NH4]+ 246.10192 163.8
[M+K]+ 267.03126 154.1
[M+H-H2O]+ 211.06536 140.4
[M+HCOO]- 273.06630 166.3
[M+CH3COO]- 287.08195 193.4
[M+Na-2H]- 249.04277 149.8
[M]+ 228.06755 150.1
[M]- 228.06865 150.1
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

patents stripe