CID 9578491

19734-35-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/CCCN2C

InChI

InChI=1S/C12H16N2O2S/c1-10-5-7-11(8-6-10)17(15,16)13-12-4-3-9-14(12)2/h5-8H,3-4,9H2,1-2H3/b13-12-

InChIKey

YPSHFRBMXMFKSH-SEYXRHQNSA-N

Compound name

(NZ)-4-methyl-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.09325 Da
Monoisotopic Mass: 1.6
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]+	253.100526	156.5
[M+Na]+	275.082468	164.9
[M-H]-	251.085974	163.7
[M+NH4]+	270.127073	175.3
[M+K]+	291.056408	161.7
[M+H-H2O]+	235.090510	149.7
[M+HCOO]-	297.091451	175.1
[M+CH3COO]-	311.107101	194.0
[M+Na-2H]-	273.067916	158.4
[M]+	252.09270142	157.9
[M]-	252.09379858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.