CID 72684

Dibenzyldithiocarbamate

Structural Information

Molecular Formula
C15H15NS2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)S
InChI
InChI=1S/C15H15NS2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKey
PCERBVBQNKZCFS-UHFFFAOYSA-N
Compound name
dibenzylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

9085
Patents

273.0646 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07188 159.2
[M+Na]+ 296.05382 165.4
[M-H]- 272.05732 166.4
[M+NH4]+ 291.09842 176.1
[M+K]+ 312.02776 159.9
[M+H-H2O]+ 256.06186 151.5
[M+HCOO]- 318.06280 173.0
[M+CH3COO]- 332.07845 200.9
[M+Na-2H]- 294.03927 160.6
[M]+ 273.06405 160.8
[M]- 273.06515 160.8
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.