CID 6435701

Brn 4510899

Structural Information

Molecular Formula
C18H19NOS3
SMILES
CCN(CC)C(=S)S/C(=C/C(=O)C1=CC=CS1)/C2=CC=CC=C2
InChI
InChI=1S/C18H19NOS3/c1-3-19(4-2)18(21)23-17(14-9-6-5-7-10-14)13-15(20)16-11-8-12-22-16/h5-13H,3-4H2,1-2H3/b17-13+
InChIKey
UHKPNOIVGJGYRC-GHRIWEEISA-N
Compound name
[(E)-3-oxo-1-phenyl-3-thiophen-2-ylprop-1-enyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.06287 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07015 178.1
[M+Na]+ 384.05209 186.3
[M+NH4]+ 379.09669 186.1
[M+K]+ 400.02603 176.5
[M-H]- 360.05559 181.9
[M+Na-2H]- 382.03754 182.9
[M]+ 361.06232 181.6
[M]- 361.06342 181.6
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.