CID 3038020

10197-25-8

Structural Information

Molecular Formula
C15H14N2S2
SMILES
C1=CC=C(C=C1)CNC(=S)C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H14N2S2/c18-14(16-11-12-7-3-1-4-8-12)15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)
InChIKey
GIMIKTDBZYQWNA-UHFFFAOYSA-N
Compound name
N-benzyl-N'-phenylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05984 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06712 162.0
[M+Na]+ 309.04906 167.3
[M-H]- 285.05256 167.6
[M+NH4]+ 304.09366 177.3
[M+K]+ 325.02300 160.0
[M+H-H2O]+ 269.05710 154.3
[M+HCOO]- 331.05804 175.3
[M+CH3COO]- 345.07369 201.0
[M+Na-2H]- 307.03451 163.8
[M]+ 286.05929 160.2
[M]- 286.06039 160.2
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.