CID 6435750

106128-43-2

Structural Information

Molecular Formula
C18H19NO2S2
SMILES
CCN(CC)C(=S)S/C(=C/C(=O)C1=CC=CO1)/C2=CC=CC=C2
InChI
InChI=1S/C18H19NO2S2/c1-3-19(4-2)18(22)23-17(14-9-6-5-7-10-14)13-15(20)16-11-8-12-21-16/h5-13H,3-4H2,1-2H3/b17-13+
InChIKey
KJEALDFPZYBTQY-GHRIWEEISA-N
Compound name
[(E)-3-(furan-2-yl)-3-oxo-1-phenylprop-1-enyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08572 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09300 185.1
[M+Na]+ 368.07494 190.1
[M-H]- 344.07844 193.0
[M+NH4]+ 363.11954 199.6
[M+K]+ 384.04888 186.4
[M+H-H2O]+ 328.08298 177.9
[M+HCOO]- 390.08392 196.9
[M+CH3COO]- 404.09957 212.1
[M+Na-2H]- 366.06039 181.5
[M]+ 345.08517 189.4
[M]- 345.08627 189.4
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.