CID 6102762

(2r)-n-{4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

Structural Information

Molecular Formula
C19H21F3N2O4S
SMILES
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)NC(=O)[C@](C)(C(F)(F)F)O)C
InChI
InChI=1S/C19H21F3N2O4S/c1-4-24(14-8-6-5-7-9-14)29(27,28)15-10-11-16(13(2)12-15)23-17(25)18(3,26)19(20,21)22/h5-12,26H,4H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKey
SHEIQJGQDUYUBE-GOSISDBHSA-N
Compound name
(2R)-N-[4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

430.1174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12468 194.3
[M+Na]+ 453.10662 199.3
[M-H]- 429.11012 196.5
[M+NH4]+ 448.15122 203.3
[M+K]+ 469.08056 195.6
[M+H-H2O]+ 413.11466 183.7
[M+HCOO]- 475.11560 205.1
[M+CH3COO]- 489.13125 228.6
[M+Na-2H]- 451.09207 196.8
[M]+ 430.11685 193.7
[M]- 430.11795 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.