CID 479145

4-chloro-n-(4-thiomorpholinophenyl)benzamide

Structural Information

Molecular Formula
C17H17ClN2OS
SMILES
C1CSCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2OS/c18-14-3-1-13(2-4-14)17(21)19-15-5-7-16(8-6-15)20-9-11-22-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKey
ANOPKFGDTJGLOF-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-thiomorpholin-4-ylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.075 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08228 173.6
[M+Na]+ 355.06422 179.2
[M-H]- 331.06772 181.0
[M+NH4]+ 350.10882 186.6
[M+K]+ 371.03816 172.4
[M+H-H2O]+ 315.07226 165.1
[M+HCOO]- 377.07320 183.6
[M+CH3COO]- 391.08885 183.1
[M+Na-2H]- 353.04967 174.7
[M]+ 332.07445 172.0
[M]- 332.07555 172.0
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.