CID 26370384

4-(4-aminophenyl)thiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CS(=O)(=O)CCN1C2=CC=C(C=C2)N
InChI
InChI=1S/C10H14N2O2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8,11H2
InChIKey
PLQZCPNIYKUNPR-UHFFFAOYSA-N
Compound name
4-(1,1-dioxo-1,4-thiazinan-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

226.0776 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 146.6
[M+Na]+ 249.06682 158.2
[M+NH4]+ 244.11142 156.3
[M+K]+ 265.04076 148.4
[M-H]- 225.07032 150.1
[M+Na-2H]- 247.05227 154.8
[M]+ 226.07705 149.7
[M]- 226.07815 149.7
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

patents stripe