CID 19226

3613-88-5

Structural Information

Molecular Formula
C13H19NO3S
SMILES
CC(C)N(CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C
InChI
InChI=1S/C13H19NO3S/c1-10(2)14(11(3)15)9-12-5-7-13(8-6-12)18(4,16)17/h5-8,10H,9H2,1-4H3
InChIKey
RFILTMLNWIGLRI-UHFFFAOYSA-N
Compound name
N-[(4-methylsulfonylphenyl)methyl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10855 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.115826 159.6
[M+Na]+ 292.097768 165.9
[M-H]- 268.101274 164.7
[M+NH4]+ 287.142373 176.9
[M+K]+ 308.071708 164.6
[M+H-H2O]+ 252.105810 153.1
[M+HCOO]- 314.106751 176.6
[M+CH3COO]- 328.122401 201.5
[M+Na-2H]- 290.083216 160.4
[M]+ 269.10800142 164.4
[M]- 269.10909858 164.4
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

No patent data available for this compound.