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

170
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 146.3
[M+Na]+ 249.06682 154.1
[M-H]- 225.07032 151.1
[M+NH4]+ 244.11142 164.9
[M+K]+ 265.04076 150.3
[M+H-H2O]+ 209.07486 139.5
[M+HCOO]- 271.07580 162.4
[M+CH3COO]- 285.09145 186.1
[M+Na-2H]- 247.05227 150.0
[M]+ 226.07705 143.4
[M]- 226.07815 143.4
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