CID 17070617

3-chloro-n-[4-(pyrrolidine-1-sulfonyl)phenyl]propanamide

Structural Information

Molecular Formula
C13H17ClN2O3S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCl
InChI
InChI=1S/C13H17ClN2O3S/c14-8-7-13(17)15-11-3-5-12(6-4-11)20(18,19)16-9-1-2-10-16/h3-6H,1-2,7-10H2,(H,15,17)
InChIKey
PANCLZZPEVUWRC-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06485 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07213 171.4
[M+Na]+ 339.05407 177.9
[M-H]- 315.05757 176.6
[M+NH4]+ 334.09867 187.1
[M+K]+ 355.02801 173.1
[M+H-H2O]+ 299.06211 164.9
[M+HCOO]- 361.06305 182.6
[M+CH3COO]- 375.07870 200.0
[M+Na-2H]- 337.03952 171.8
[M]+ 316.06430 173.5
[M]- 316.06540 173.5
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.