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]+ 317.072126 171.4
[M+Na]+ 339.054068 177.9
[M-H]- 315.057574 176.6
[M+NH4]+ 334.098673 187.1
[M+K]+ 355.028008 173.1
[M+H-H2O]+ 299.062110 164.9
[M+HCOO]- 361.063051 182.6
[M+CH3COO]- 375.078701 200.0
[M+Na-2H]- 337.039516 171.8
[M]+ 316.06430142 173.5
[M]- 316.06539858 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.