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 152.2
[M+Na]+ 259.08755 157.1
[M-H]- 235.09105 156.2
[M+NH4]+ 254.13215 168.2
[M+K]+ 275.06149 153.1
[M+H-H2O]+ 219.09559 144.5
[M+HCOO]- 281.09653 166.4
[M+CH3COO]- 295.11218 190.1
[M+Na-2H]- 257.07300 153.2
[M]+ 236.09778 147.9
[M]- 236.09888 147.9
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.