CID 3041873

N,n-diethyl-4-((4-phenyl-1-piperazinyl)acetyl)benzenesulfonamide maleate

Structural Information

Molecular Formula
C22H29N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-12-10-19(11-13-21)22(26)18-23-14-16-24(17-15-23)20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3
InChIKey
QQAIVWLSRMNPPO-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.19296 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20024 198.9
[M+Na]+ 438.18218 201.8
[M-H]- 414.18568 205.6
[M+NH4]+ 433.22678 206.2
[M+K]+ 454.15612 197.2
[M+H-H2O]+ 398.19022 188.0
[M+HCOO]- 460.19116 210.0
[M+CH3COO]- 474.20681 227.4
[M+Na-2H]- 436.16763 198.8
[M]+ 415.19241 199.3
[M]- 415.19351 199.3
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.