CID 24846660

92368-02-0

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CN1C(S(=O)(=O)CCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO3S/c1-12-10(13)7-8-16(14,15)11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
BDSCBDCAOUAKIO-UHFFFAOYSA-N
Compound name
3-methyl-1,1-dioxo-2-phenyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 147.9
[M+Na]+ 262.05083 157.1
[M-H]- 238.05433 153.7
[M+NH4]+ 257.09543 166.8
[M+K]+ 278.02477 153.7
[M+H-H2O]+ 222.05887 141.4
[M+HCOO]- 284.05981 163.7
[M+CH3COO]- 298.07546 187.2
[M+Na-2H]- 260.03628 151.1
[M]+ 239.06106 148.2
[M]- 239.06216 148.2
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.