CID 458785

Lassbio-1295

Structural Information

Molecular Formula
C12H16N2O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCSCC2
InChI
InChI=1S/C12H16N2O3S2/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)
InChIKey
MNINCXVLMHUFSC-UHFFFAOYSA-N
Compound name
N-(4-thiomorpholin-4-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

300.06024 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06752 164.7
[M+Na]+ 323.04946 169.8
[M-H]- 299.05296 168.6
[M+NH4]+ 318.09406 178.2
[M+K]+ 339.02340 165.0
[M+H-H2O]+ 283.05750 157.3
[M+HCOO]- 345.05844 173.1
[M+CH3COO]- 359.07409 198.4
[M+Na-2H]- 321.03491 166.3
[M]+ 300.05969 163.0
[M]- 300.06079 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.