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 175.3
[M+Na]+ 340.11302 180.1
[M-H]- 316.11652 185.3
[M+NH4]+ 335.15762 189.5
[M+K]+ 356.08696 174.1
[M+H-H2O]+ 300.12106 165.9
[M+HCOO]- 362.12200 194.2
[M+CH3COO]- 376.13765 185.8
[M+Na-2H]- 338.09847 178.0
[M]+ 317.12325 175.4
[M]- 317.12435 175.4
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.