CID 6434739

63521-71-1

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]+ 356.113726 184.2
[M+Na]+ 378.095668 187.8
[M-H]- 354.099174 190.5
[M+NH4]+ 373.140273 197.3
[M+K]+ 394.069608 181.6
[M+H-H2O]+ 338.103710 175.7
[M+HCOO]- 400.104651 194.7
[M+CH3COO]- 414.120301 216.0
[M+Na-2H]- 376.081116 181.5
[M]+ 355.10590142 186.1
[M]- 355.10699858 186.1
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

No patent data available for this compound.