CID 205662

Benzamide, n-isopropyl-m-(isopropylsulfonyl)-

Structural Information

Molecular Formula
C13H19NO3S
SMILES
CC(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C(C)C
InChI
InChI=1S/C13H19NO3S/c1-9(2)14-13(15)11-6-5-7-12(8-11)18(16,17)10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKey
UFEJSIVLPOBVKL-UHFFFAOYSA-N
Compound name
N-propan-2-yl-3-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]+ 270.115826 160.0
[M+Na]+ 292.097768 165.8
[M-H]- 268.101274 163.6
[M+NH4]+ 287.142373 176.5
[M+K]+ 308.071708 163.6
[M+H-H2O]+ 252.105810 153.8
[M+HCOO]- 314.106751 175.5
[M+CH3COO]- 328.122401 199.0
[M+Na-2H]- 290.083216 160.3
[M]+ 269.10800142 162.9
[M]- 269.10909858 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.