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 184.2
[M+Na]+ 378.09567 187.8
[M-H]- 354.09917 190.5
[M+NH4]+ 373.14027 197.3
[M+K]+ 394.06961 181.6
[M+H-H2O]+ 338.10371 175.7
[M+HCOO]- 400.10465 194.7
[M+CH3COO]- 414.12030 216.0
[M+Na-2H]- 376.08112 181.5
[M]+ 355.10590 186.1
[M]- 355.10700 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.