CID 3033311

Sodium allylisopropyl thiobarbiturate

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC(C)C1(C(=O)NC(=S)NC1=O)CC=C
InChI
InChI=1S/C10H14N2O2S/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)
InChIKey
VTFCUFVLVSVOEN-UHFFFAOYSA-N
Compound name
5-propan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 153.5
[M+Na]+ 249.06682 162.3
[M+NH4]+ 244.11142 160.2
[M+K]+ 265.04076 154.1
[M-H]- 225.07032 151.5
[M+Na-2H]- 247.05227 155.5
[M]+ 226.07705 154.3
[M]- 226.07815 154.3
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

patents stripe