CID 203394

3-thiomorpholinone, 2,2-diphenyl-, 1,1-dioxide

Structural Information

Molecular Formula
C16H15NO3S
SMILES
C1C(=O)NCC(S1(=O)=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO3S/c18-15-11-21(19,20)16(12-17-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKey
JCTAAFHNUHHGLW-UHFFFAOYSA-N
Compound name
1,1-dioxo-6,6-diphenyl-1,4-thiazinan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07727 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08455 167.0
[M+Na]+ 324.06649 175.2
[M-H]- 300.06999 174.0
[M+NH4]+ 319.11109 183.7
[M+K]+ 340.04043 169.6
[M+H-H2O]+ 284.07453 159.0
[M+HCOO]- 346.07547 181.2
[M+CH3COO]- 360.09112 177.8
[M+Na-2H]- 322.05194 171.6
[M]+ 301.07672 164.7
[M]- 301.07782 164.7
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

No patent data available for this compound.