CID 28786509

2-(4-aminophenyl)-1-(thiomorpholin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C12H16N2OS
SMILES
C1CSCCN1C(=O)CC2=CC=C(C=C2)N
InChI
InChI=1S/C12H16N2OS/c13-11-3-1-10(2-4-11)9-12(15)14-5-7-16-8-6-14/h1-4H,5-9,13H2
InChIKey
DCWXHWAAVQCEDD-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-1-thiomorpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 151.6
[M+Na]+ 259.08755 162.5
[M+NH4]+ 254.13215 160.3
[M+K]+ 275.06149 154.2
[M-H]- 235.09105 155.7
[M+Na-2H]- 257.07300 158.2
[M]+ 236.09778 154.6
[M]- 236.09888 154.6
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.