CID 6475667

(e)-4-phenyl-n-(2-thiomorpholinophenyl)but-3-enamide

Structural Information

Molecular Formula
C20H22N2OS
SMILES
C1CSCCN1C2=CC=CC=C2NC(=O)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H22N2OS/c23-20(12-6-9-17-7-2-1-3-8-17)21-18-10-4-5-11-19(18)22-13-15-24-16-14-22/h1-11H,12-16H2,(H,21,23)/b9-6+
InChIKey
AOXVKHBMFNVZII-RMKNXTFCSA-N
Compound name
(E)-4-phenyl-N-(2-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]+ 339.152576 179.6
[M+Na]+ 361.134518 182.7
[M-H]- 337.138024 186.2
[M+NH4]+ 356.179123 191.0
[M+K]+ 377.108458 176.0
[M+H-H2O]+ 321.142560 169.7
[M+HCOO]- 383.143501 193.4
[M+CH3COO]- 397.159151 187.9
[M+Na-2H]- 359.119966 180.3
[M]+ 338.14475142 175.5
[M]- 338.14584858 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.