CID 43263566

1581182-07-1

Structural Information

Molecular Formula

C₇H₁₇N₃O₂S

SMILES

CCN(C)S(=O)(=O)N1CCNCC1

InChI

InChI=1S/C7H17N3O2S/c1-3-9(2)13(11,12)10-6-4-8-5-7-10/h8H,3-7H2,1-2H3

InChIKey

WJTXIEZOPPIHOA-UHFFFAOYSA-N

Compound name

N-ethyl-N-methylpiperazine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.10414 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]+	208.111416	145.0
[M+Na]+	230.093358	150.0
[M-H]-	206.096864	145.1
[M+NH4]+	225.137963	161.1
[M+K]+	246.067298	148.5
[M+H-H2O]+	190.101400	138.0
[M+HCOO]-	252.102341	157.2
[M+CH3COO]-	266.117991	184.0
[M+Na-2H]-	228.078806	148.1
[M]+	207.10359142	142.6
[M]-	207.10468858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe