CID 6475669

(e)-4-phenyl-n-(4-thiomorpholinophenyl)but-3-enamide

Structural Information

Molecular Formula
C20H22N2OS
SMILES
C1CSCCN1C2=CC=C(C=C2)NC(=O)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H22N2OS/c23-20(8-4-7-17-5-2-1-3-6-17)21-18-9-11-19(12-10-18)22-13-15-24-16-14-22/h1-7,9-12H,8,13-16H2,(H,21,23)/b7-4+
InChIKey
YLJRXQLTYODHSN-QPJJXVBHSA-N
Compound name
(E)-4-phenyl-N-(4-thiomorpholin-4-ylphenyl)but-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1453 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 179.6
[M+Na]+ 361.13452 182.7
[M-H]- 337.13802 186.2
[M+NH4]+ 356.17912 191.0
[M+K]+ 377.10846 176.0
[M+H-H2O]+ 321.14256 169.7
[M+HCOO]- 383.14350 193.4
[M+CH3COO]- 397.15915 187.9
[M+Na-2H]- 359.11997 180.3
[M]+ 338.14475 175.5
[M]- 338.14585 175.5
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.