CID 9587905

57988-74-6

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/N2CCCC2

InChI

InChI=1S/C12H16N2O2S/c1-11-4-6-12(7-5-11)17(15,16)13-10-14-8-2-3-9-14/h4-7,10H,2-3,8-9H2,1H3/b13-10+

InChIKey

YZVBSAOKNFRSSD-JLHYYAGUSA-N

Compound name

(NE)-4-methyl-N-(pyrrolidin-1-ylmethylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.09325 Da
Monoisotopic Mass: 2.0
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	156.8
[M+Na]+	275.082468	164.4
[M-H]-	251.085974	163.6
[M+NH4]+	270.127073	175.3
[M+K]+	291.056408	161.1
[M+H-H2O]+	235.090510	149.7
[M+HCOO]-	297.091451	175.4
[M+CH3COO]-	311.107101	192.9
[M+Na-2H]-	273.067916	159.4
[M]+	252.09270142	157.8
[M]-	252.09379858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.