CID 5153171

5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CCCCC1C(=O)NC(=S)NC1=O
InChI
InChI=1S/C8H12N2O2S/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)
InChIKey
IRSXYVMZLDSECN-UHFFFAOYSA-N
Compound name
5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

200.06195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 145.8
[M+Na]+ 223.05117 155.2
[M+NH4]+ 218.09577 151.9
[M+K]+ 239.02511 148.3
[M-H]- 199.05467 144.4
[M+Na-2H]- 221.03662 146.9
[M]+ 200.06140 146.7
[M]- 200.06250 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe