CID 983174

Oprea1_092935

Structural Information

Molecular Formula
C18H21ClN2O3S
SMILES
C1COCCN1[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2/t18-/m1/s1
InChIKey
SUYNYRMPDZCVQW-GOSISDBHSA-N
Compound name
4-chloro-N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.09613 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10341 185.0
[M+Na]+ 403.08535 197.7
[M+NH4]+ 398.12995 192.4
[M+K]+ 419.05929 188.9
[M-H]- 379.08885 191.3
[M+Na-2H]- 401.07080 193.3
[M]+ 380.09558 189.4
[M]- 380.09668 189.4
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.