CID 6510242

126826-70-8

Structural Information

Molecular Formula

C₁₅H₂₁N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(/C)\N2CCCCC2

InChI

InChI=1S/C15H21N3O3S/c1-12(18-10-4-3-5-11-18)17-22(20,21)15-8-6-14(7-9-15)16-13(2)19/h6-9H,3-5,10-11H2,1-2H3,(H,16,19)/b17-12-

InChIKey

FZECQDQRJAHDDA-ATVHPVEESA-N

Compound name

N-[4-[(Z)-1-piperidin-1-ylethylideneamino]sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.13037 Da
Monoisotopic Mass: 1.2
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]+	324.137646	173.7
[M+Na]+	346.119588	177.3
[M-H]-	322.123094	179.2
[M+NH4]+	341.164193	186.4
[M+K]+	362.093528	174.2
[M+H-H2O]+	306.127630	165.2
[M+HCOO]-	368.128571	188.3
[M+CH3COO]-	382.144221	209.1
[M+Na-2H]-	344.105036	175.5
[M]+	323.12982142	172.0
[M]-	323.13091858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.