CID 3065821

N-(p-amino-alpha-(piperidinocarbonyl)phenethyl)-p-toluenesulfonamide

Structural Information

Molecular Formula

C₂₁H₂₇N₃O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N)C(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-16-5-11-19(12-6-16)28(26,27)23-20(15-17-7-9-18(22)10-8-17)21(25)24-13-3-2-4-14-24/h5-12,20,23H,2-4,13-15,22H2,1H3

InChIKey

TWMINYKPGPNDNP-UHFFFAOYSA-N

Compound name

N-[3-(4-aminophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 401.1773 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	402.184576	193.6
[M+Na]+	424.166518	195.8
[M-H]-	400.170024	199.8
[M+NH4]+	419.211123	201.7
[M+K]+	440.140458	190.5
[M+H-H2O]+	384.174560	183.9
[M+HCOO]-	446.175501	205.3
[M+CH3COO]-	460.191151	223.6
[M+Na-2H]-	422.151966	193.5
[M]+	401.17675142	189.8
[M]-	401.17784858	189.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.