CID 28775678

N-benzylpiperazine-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
C1CN(CCN1)S(=O)(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C11H17N3O2S/c15-17(16,14-8-6-12-7-9-14)13-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
LVRRVSNWUOPCSV-UHFFFAOYSA-N
Compound name
N-benzylpiperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.10414 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.111416 155.5
[M+Na]+ 278.093358 160.1
[M-H]- 254.096864 157.0
[M+NH4]+ 273.137963 168.5
[M+K]+ 294.067298 155.5
[M+H-H2O]+ 238.101400 147.4
[M+HCOO]- 300.102341 167.7
[M+CH3COO]- 314.117991 188.5
[M+Na-2H]- 276.078806 160.2
[M]+ 255.10359142 150.8
[M]- 255.10468858 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe