CID 205938

Brn 3990257

Structural Information

Molecular Formula
C22H21NO2S
SMILES
C1=CC=C(C=C1)CC(CS(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H21NO2S/c24-22(19-12-6-2-7-13-19)23-20(16-18-10-4-1-5-11-18)17-26(25)21-14-8-3-9-15-21/h1-15,20H,16-17H2,(H,23,24)
InChIKey
IYSWQLLBWLHSPU-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfinyl)-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1293 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13658 186.5
[M+Na]+ 386.11852 189.8
[M-H]- 362.12202 194.9
[M+NH4]+ 381.16312 197.7
[M+K]+ 402.09246 184.0
[M+H-H2O]+ 346.12656 176.9
[M+HCOO]- 408.12750 203.1
[M+CH3COO]- 422.14315 214.8
[M+Na-2H]- 384.10397 187.5
[M]+ 363.12875 186.6
[M]- 363.12985 186.6
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.