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

7
Patents

298.05984 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06712 177.0
[M+Na]+ 321.04906 186.3
[M-H]- 297.05256 183.7
[M+NH4]+ 316.09366 191.7
[M+K]+ 337.02300 179.4
[M+H-H2O]+ 281.05710 163.0
[M+HCOO]- 343.05804 188.3
[M+CH3COO]- 357.07369 186.3
[M+Na-2H]- 319.03451 178.1
[M]+ 298.05929 174.1
[M]- 298.06039 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