CID 608037

Brn 5543247

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCCC1(C(=O)NC(=O)N=C1SC)CCC
InChI
InChI=1S/C11H18N2O2S/c1-4-6-11(7-5-2)8(14)12-10(15)13-9(11)16-3/h4-7H2,1-3H3,(H,12,14,15)
InChIKey
XLBWBLSQASDXLX-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-5,5-dipropylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116176 152.7
[M+Na]+ 265.098118 160.9
[M-H]- 241.101624 152.2
[M+NH4]+ 260.142723 170.0
[M+K]+ 281.072058 157.1
[M+H-H2O]+ 225.106160 146.9
[M+HCOO]- 287.107101 165.2
[M+CH3COO]- 301.122751 189.3
[M+Na-2H]- 263.083566 153.7
[M]+ 242.10835142 154.7
[M]- 242.10944858 154.7
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.