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]+ 243.11618 152.7
[M+Na]+ 265.09812 160.9
[M-H]- 241.10162 152.2
[M+NH4]+ 260.14272 170.0
[M+K]+ 281.07206 157.1
[M+H-H2O]+ 225.10616 146.9
[M+HCOO]- 287.10710 165.2
[M+CH3COO]- 301.12275 189.3
[M+Na-2H]- 263.08357 153.7
[M]+ 242.10835 154.7
[M]- 242.10945 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.