CID 3033410

67050-45-7

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCC(C)C1(C(=O)NC(=S)NC1=O)CC(=C)C
InChI
InChI=1S/C12H18N2O2S/c1-5-8(4)12(6-7(2)3)9(15)13-11(17)14-10(12)16/h8H,2,5-6H2,1,3-4H3,(H2,13,14,15,16,17)
InChIKey
RBSZTRCVWLVPBZ-UHFFFAOYSA-N
Compound name
5-butan-2-yl-5-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 156.3
[M+Na]+ 277.098118 162.5
[M-H]- 253.101624 153.9
[M+NH4]+ 272.142723 171.8
[M+K]+ 293.072058 157.6
[M+H-H2O]+ 237.106160 151.2
[M+HCOO]- 299.107101 163.7
[M+CH3COO]- 313.122751 191.1
[M+Na-2H]- 275.083566 153.5
[M]+ 254.10835142 152.9
[M]- 254.10944858 152.9
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.