CID 209007

N-(alpha-((phenylthio)methyl)phenethyl)benzamide

Structural Information

Molecular Formula
C22H21NOS
SMILES
C1=CC=C(C=C1)CC(CSC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H21NOS/c24-22(19-12-6-2-7-13-19)23-20(16-18-10-4-1-5-11-18)17-25-21-14-8-3-9-15-21/h1-15,20H,16-17H2,(H,23,24)
InChIKey
OTRNNWSFGPFBHC-UHFFFAOYSA-N
Compound name
N-(1-phenyl-3-phenylsulfanylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1344 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14168 182.8
[M+Na]+ 370.12362 186.5
[M-H]- 346.12712 191.2
[M+NH4]+ 365.16822 195.0
[M+K]+ 386.09756 180.0
[M+H-H2O]+ 330.13166 173.3
[M+HCOO]- 392.13260 200.1
[M+CH3COO]- 406.14825 192.0
[M+Na-2H]- 368.10907 184.8
[M]+ 347.13385 182.8
[M]- 347.13495 182.8
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.