CID 4089421

N,n-dibenzylthiobenzamide

Structural Information

Molecular Formula
C21H19NS
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)C3=CC=CC=C3
InChI
InChI=1S/C21H19NS/c23-21(20-14-8-3-9-15-20)22(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey
UEOFECQMBDNUQK-UHFFFAOYSA-N
Compound name
N,N-dibenzylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1238 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13108 174.0
[M+Na]+ 340.11302 189.6
[M+NH4]+ 335.15762 184.3
[M+K]+ 356.08696 177.4
[M-H]- 316.11652 183.0
[M+Na-2H]- 338.09847 187.0
[M]+ 317.12325 179.5
[M]- 317.12435 179.5
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.