CID 39871087

1146290-38-1

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂S

SMILES

CN1CCCC1=NS(=O)(=O)C2=CC=CC(=C2)N

InChI

InChI=1S/C11H15N3O2S/c1-14-7-3-6-11(14)13-17(15,16)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,12H2,1H3

InChIKey

LWHNCKLZGOMLKW-UHFFFAOYSA-N

Compound name

3-amino-N-(1-methylpyrrolidin-2-ylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.0885 Da
Monoisotopic Mass: 0.5
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]+	254.095776	155.8
[M+Na]+	276.077718	163.6
[M-H]-	252.081224	162.4
[M+NH4]+	271.122323	173.7
[M+K]+	292.051658	160.0
[M+H-H2O]+	236.085760	148.6
[M+HCOO]-	298.086701	174.9
[M+CH3COO]-	312.102351	195.4
[M+Na-2H]-	274.063166	157.9
[M]+	253.08795142	155.0
[M]-	253.08904858	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe