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]+ 237.105606 152.2
[M+Na]+ 259.087548 157.1
[M-H]- 235.091054 156.2
[M+NH4]+ 254.132153 168.2
[M+K]+ 275.061488 153.1
[M+H-H2O]+ 219.095590 144.5
[M+HCOO]- 281.096531 166.4
[M+CH3COO]- 295.112181 190.1
[M+Na-2H]- 257.072996 153.2
[M]+ 236.09778142 147.9
[M]- 236.09887858 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.