CID 3032381

Carbamic acid, benzyldithio-, benzyl ester

Structural Information

Molecular Formula
C15H15NS2
SMILES
C1=CC=C(C=C1)CNC(=S)SCC2=CC=CC=C2
InChI
InChI=1S/C15H15NS2/c17-15(16-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKey
ZFZFYOLSWJXPJK-UHFFFAOYSA-N
Compound name
benzyl N-benzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0646 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07188 156.9
[M+Na]+ 296.05382 169.8
[M+NH4]+ 291.09842 167.0
[M+K]+ 312.02776 157.4
[M-H]- 272.05732 163.1
[M+Na-2H]- 294.03927 166.1
[M]+ 273.06405 161.6
[M]- 273.06515 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.