CID 3544611

2-chloro-n-[3-(piperidine-1-sulfonyl)phenyl]propanamide

Structural Information

Molecular Formula
C14H19ClN2O3S
SMILES
CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)Cl
InChI
InChI=1S/C14H19ClN2O3S/c1-11(15)14(18)16-12-6-5-7-13(10-12)21(19,20)17-8-3-2-4-9-17/h5-7,10-11H,2-4,8-9H2,1H3,(H,16,18)
InChIKey
MUMXHEHIKUEIDC-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0805 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08778 171.7
[M+Na]+ 353.06972 176.4
[M-H]- 329.07322 176.2
[M+NH4]+ 348.11432 184.7
[M+K]+ 369.04366 171.8
[M+H-H2O]+ 313.07776 164.8
[M+HCOO]- 375.07870 179.5
[M+CH3COO]- 389.09435 204.4
[M+Na-2H]- 351.05517 172.6
[M]+ 330.07995 171.5
[M]- 330.08105 171.5
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.