CID 9589300

126826-73-1

Structural Information

Molecular Formula

C₁₆H₂₂N₄O₂S

SMILES

CN1CCCC1=NC2=CC=C(C=C2)S(=O)(=O)/N=C\3/CCCN3C

InChI

InChI=1S/C16H22N4O2S/c1-19-11-3-5-15(19)17-13-7-9-14(10-8-13)23(21,22)18-16-6-4-12-20(16)2/h7-10H,3-6,11-12H2,1-2H3/b17-15?,18-16-

InChIKey

PATMDZCYMFAZSK-PWNRRAGASA-N

Compound name

(NZ)-N-(1-methylpyrrolidin-2-ylidene)-4-[(1-methylpyrrolidin-2-ylidene)amino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.14636 Da
Monoisotopic Mass: 0.9
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]+	335.153636	180.0
[M+Na]+	357.135578	186.7
[M-H]-	333.139084	190.0
[M+NH4]+	352.180183	195.9
[M+K]+	373.109518	183.1
[M+H-H2O]+	317.143620	171.7
[M+HCOO]-	379.144561	198.1
[M+CH3COO]-	393.160211	212.6
[M+Na-2H]-	355.121026	178.5
[M]+	334.14581142	179.8
[M]-	334.14690858	179.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.