CID 821945

Dibenzyl cyanocarbonimidodithioate

Structural Information

Molecular Formula
C16H14N2S2
SMILES
C1=CC=C(C=C1)CSC(=NC#N)SCC2=CC=CC=C2
InChI
InChI=1S/C16H14N2S2/c17-13-18-16(19-11-14-7-3-1-4-8-14)20-12-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKey
PSJVCHKLFXZCFQ-UHFFFAOYSA-N
Compound name
bis(benzylsulfanyl)methylidenecyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

298.05984 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.067116 177.0
[M+Na]+ 321.049058 186.3
[M-H]- 297.052564 183.7
[M+NH4]+ 316.093663 191.7
[M+K]+ 337.022998 179.4
[M+H-H2O]+ 281.057100 163.0
[M+HCOO]- 343.058041 188.3
[M+CH3COO]- 357.073691 186.3
[M+Na-2H]- 319.034506 178.1
[M]+ 298.05929142 174.1
[M]- 298.06038858 174.1
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

patents stripe