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]+ 270.11583 161.4
[M+Na]+ 292.09777 170.8
[M+NH4]+ 287.14237 167.9
[M+K]+ 308.07171 165.1
[M-H]- 268.10127 162.0
[M+Na-2H]- 290.08322 165.7
[M]+ 269.10800 163.2
[M]- 269.10910 163.2
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.