CID 3041863

N,n-diethyl-4-((4-methyl-1-piperazinyl)acetyl)benzenesulfonamide maleate (1:2)

Structural Information

Molecular Formula
C17H27N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C
InChI
InChI=1S/C17H27N3O3S/c1-4-20(5-2)24(22,23)16-8-6-15(7-9-16)17(21)14-19-12-10-18(3)11-13-19/h6-9H,4-5,10-14H2,1-3H3
InChIKey
QFFQJLKAAIPEEQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-(4-methylpiperazin-1-yl)acetyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1773 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18458 182.9
[M+Na]+ 376.16652 186.9
[M-H]- 352.17002 187.1
[M+NH4]+ 371.21112 193.6
[M+K]+ 392.14046 183.8
[M+H-H2O]+ 336.17456 173.8
[M+HCOO]- 398.17550 194.3
[M+CH3COO]- 412.19115 216.7
[M+Na-2H]- 374.15197 182.5
[M]+ 353.17675 184.4
[M]- 353.17785 184.4
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

No patent data available for this compound.