CID 6434739

Brn 4515633

Structural Information

Molecular Formula
C20H21NOS2
SMILES
CCN(CC)C(=S)S/C(=C/C(=O)C1=CC=CC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C20H21NOS2/c1-3-21(4-2)20(23)24-19(17-13-9-6-10-14-17)15-18(22)16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b19-15+
InChIKey
ITERTJGIJHHXOU-XDJHFCHBSA-N
Compound name
[(E)-3-oxo-1,3-diphenylprop-1-enyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10645 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11373 179.8
[M+Na]+ 378.09567 190.6
[M+NH4]+ 373.14027 187.9
[M+K]+ 394.06961 179.7
[M-H]- 354.09917 184.6
[M+Na-2H]- 376.08112 187.1
[M]+ 355.10590 183.6
[M]- 355.10700 183.6
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.