CID 210036

20884-70-2

Structural Information

Molecular Formula
C13H19NO3S
SMILES
CC(C)NC(=O)C1=CC=CC=C1S(=O)(=O)C(C)C
InChI
InChI=1S/C13H19NO3S/c1-9(2)14-13(15)11-7-5-6-8-12(11)18(16,17)10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKey
ATXVRYLHMFNVQI-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10855 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11583 160.0
[M+Na]+ 292.09777 165.8
[M-H]- 268.10127 163.6
[M+NH4]+ 287.14237 176.5
[M+K]+ 308.07171 163.6
[M+H-H2O]+ 252.10581 153.8
[M+HCOO]- 314.10675 175.5
[M+CH3COO]- 328.12240 199.0
[M+Na-2H]- 290.08322 160.3
[M]+ 269.10800 162.9
[M]- 269.10910 162.9
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.