CID 3038168

31652-54-7

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CC(C)NC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C10H16N4O2S/c1-6(2)11-9(17)12-7-5-8(15)14(4)10(16)13(7)3/h5-6H,1-4H3,(H2,11,12,17)
InChIKey
RKSUZFHSAWJGEA-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0994 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 156.3
[M+Na]+ 279.08862 165.4
[M-H]- 255.09212 158.3
[M+NH4]+ 274.13322 171.3
[M+K]+ 295.06256 161.7
[M+H-H2O]+ 239.09666 148.9
[M+HCOO]- 301.09760 173.3
[M+CH3COO]- 315.11325 200.3
[M+Na-2H]- 277.07407 156.5
[M]+ 256.09885 158.9
[M]- 256.09995 158.9
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.