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]+ 243.116176 153.7
[M+Na]+ 265.098118 160.3
[M-H]- 241.101624 151.4
[M+NH4]+ 260.142723 169.9
[M+K]+ 281.072058 155.7
[M+H-H2O]+ 225.106160 148.5
[M+HCOO]- 287.107101 162.3
[M+CH3COO]- 301.122751 188.0
[M+Na-2H]- 263.083566 152.4
[M]+ 242.10835142 151.3
[M]- 242.10944858 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.