CID 3033306

Barbituric acid, 5,5-diallyl-2-thio-

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
C=CCC1(C(=O)NC(=S)NC1=O)CC=C
InChI
InChI=1S/C10H12N2O2S/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKey
RNKVNEMTHFCBPD-UHFFFAOYSA-N
Compound name
5,5-bis(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

224.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 147.7
[M+Na]+ 247.05117 155.6
[M-H]- 223.05467 145.5
[M+NH4]+ 242.09577 164.5
[M+K]+ 263.02511 149.5
[M+H-H2O]+ 207.05921 142.6
[M+HCOO]- 269.06015 158.0
[M+CH3COO]- 283.07580 182.4
[M+Na-2H]- 245.03662 147.8
[M]+ 224.06140 144.1
[M]- 224.06250 144.1
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