CID 68881

Lorapride

Structural Information

Molecular Formula
C14H22ClN3O3S
SMILES
CCN1CCCC1CNS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)OC
InChI
InChI=1S/C14H22ClN3O3S/c1-3-18-6-4-5-10(18)9-17-22(19,20)14-7-11(15)12(16)8-13(14)21-2/h7-8,10,17H,3-6,9,16H2,1-2H3
InChIKey
YSWVLPFCGJOQQA-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

347.10703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11431 179.4
[M+Na]+ 370.09625 188.1
[M+NH4]+ 365.14085 185.5
[M+K]+ 386.07019 182.9
[M-H]- 346.09975 181.2
[M+Na-2H]- 368.08170 182.7
[M]+ 347.10648 181.5
[M]- 347.10758 181.5
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