CID 57339412

Chembl2385481

Structural Information

Molecular Formula
C13H18N2O4S
SMILES
C1C[C@@H](N(C1)S(=O)(=O)CCC2=CC=CC=C2)C(=O)NO
InChI
InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1
InChIKey
FTQOZDRDOVWSBK-GFCCVEGCSA-N
Compound name
(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

298.09872 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10600 166.8
[M+Na]+ 321.08794 174.1
[M+NH4]+ 316.13254 172.2
[M+K]+ 337.06188 170.4
[M-H]- 297.09144 166.9
[M+Na-2H]- 319.07339 170.3
[M]+ 298.09817 167.8
[M]- 298.09927 167.8
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

patents stripe