CID 210040

Benzamide, n-(2-hydroxyethyl)-p-(isopropylsulfonyl)-

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCO
InChI
InChI=1S/C12H17NO4S/c1-9(2)18(16,17)11-5-3-10(4-6-11)12(15)13-7-8-14/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKey
MLIXIPWSOFBVPX-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 160.7
[M+Na]+ 294.07705 169.0
[M+NH4]+ 289.12165 166.2
[M+K]+ 310.05099 163.9
[M-H]- 270.08055 160.0
[M+Na-2H]- 292.06250 163.9
[M]+ 271.08728 161.8
[M]- 271.08838 161.8
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.