CID 479147

4-phenyl-n-(3-thiomorpholinophenyl)benzamide

Structural Information

Molecular Formula
C23H22N2OS
SMILES
C1CSCCN1C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H22N2OS/c26-23(20-11-9-19(10-12-20)18-5-2-1-3-6-18)24-21-7-4-8-22(17-21)25-13-15-27-16-14-25/h1-12,17H,13-16H2,(H,24,26)
InChIKey
DCZDSHQIWTXALD-UHFFFAOYSA-N
Compound name
4-phenyl-N-(3-thiomorpholin-4-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.1453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15258 187.6
[M+Na]+ 397.13452 191.3
[M-H]- 373.13802 197.3
[M+NH4]+ 392.17912 197.1
[M+K]+ 413.10846 184.1
[M+H-H2O]+ 357.14256 176.7
[M+HCOO]- 419.14350 201.5
[M+CH3COO]- 433.15915 195.7
[M+Na-2H]- 395.11997 188.8
[M]+ 374.14475 183.0
[M]- 374.14585 183.0
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.