CID 3033414

67050-60-6

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCCC1(C(=O)NC(=S)NC1=O)C(C)CC
InChI
InChI=1S/C11H18N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
BWKMOVJKNKBIGE-UHFFFAOYSA-N
Compound name
5-butan-2-yl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-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 153.7
[M+Na]+ 265.09812 160.3
[M-H]- 241.10162 151.4
[M+NH4]+ 260.14272 169.9
[M+K]+ 281.07206 155.7
[M+H-H2O]+ 225.10616 148.5
[M+HCOO]- 287.10710 162.3
[M+CH3COO]- 301.12275 188.0
[M+Na-2H]- 263.08357 152.4
[M]+ 242.10835 151.3
[M]- 242.10945 151.3
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.