CID 3057913

Pyrrolidine, 1-(3-((5-chloro-2-methoxyphenyl)sulfonyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C14H20ClNO3S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)CCCN2CCCC2
InChI
InChI=1S/C14H20ClNO3S/c1-19-13-6-5-12(15)11-14(13)20(17,18)10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKey
MKDMSOIAYHUOSR-UHFFFAOYSA-N
Compound name
1-[3-(5-chloro-2-methoxyphenyl)sulfonylpropyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09252 172.2
[M+Na]+ 340.07446 183.2
[M+NH4]+ 335.11906 179.5
[M+K]+ 356.04840 176.4
[M-H]- 316.07796 173.7
[M+Na-2H]- 338.05991 176.8
[M]+ 317.08469 174.8
[M]- 317.08579 174.8
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.