CID 473247

4-phenyl-n-[4-(thiomorpholinomethyl)phenyl]benzamide

Structural Information

Molecular Formula
C24H24N2OS
SMILES
C1CSCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H24N2OS/c27-24(22-10-8-21(9-11-22)20-4-2-1-3-5-20)25-23-12-6-19(7-13-23)18-26-14-16-28-17-15-26/h1-13H,14-18H2,(H,25,27)
InChIKey
XEGUXKJQSFZXCI-UHFFFAOYSA-N
Compound name
4-phenyl-N-[4-(thiomorpholin-4-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.16095 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16823 191.7
[M+Na]+ 411.15017 194.9
[M-H]- 387.15367 201.2
[M+NH4]+ 406.19477 200.7
[M+K]+ 427.12411 187.5
[M+H-H2O]+ 371.15821 180.6
[M+HCOO]- 433.15915 205.2
[M+CH3COO]- 447.17480 199.4
[M+Na-2H]- 409.13562 192.4
[M]+ 388.16040 187.4
[M]- 388.16150 187.4
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.