CID 18924956

2-(propylthio)-4,6(1h,5h)-pyrimidinedione

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCCSC1=NC(=O)CC(=O)N1
InChI
InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h2-4H2,1H3,(H,8,9,10,11)
InChIKey
YGZSWBAYXOXPKO-UHFFFAOYSA-N
Compound name
2-propylsulfanyl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

186.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 138.0
[M+Na]+ 209.035518 146.4
[M-H]- 185.039024 137.7
[M+NH4]+ 204.080123 155.3
[M+K]+ 225.009458 143.0
[M+H-H2O]+ 169.043560 131.6
[M+HCOO]- 231.044501 151.8
[M+CH3COO]- 245.060151 176.5
[M+Na-2H]- 207.020966 140.0
[M]+ 186.04575142 137.8
[M]- 186.04684858 137.8
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