CID 3041871

1-(4-(dimethylaminosulfonyl)phenacyl)-4-phenylpiperazine maleate

Structural Information

Molecular Formula
C20H25N3O3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O3S/c1-21(2)27(25,26)19-10-8-17(9-11-19)20(24)16-22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKey
KPJLOPUPHBJNHM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[2-(4-phenylpiperazin-1-yl)acetyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.16165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16893 187.7
[M+Na]+ 410.15087 199.1
[M+NH4]+ 405.19547 193.7
[M+K]+ 426.12481 191.6
[M-H]- 386.15437 191.9
[M+Na-2H]- 408.13632 195.8
[M]+ 387.16110 190.8
[M]- 387.16220 190.8
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

No patent data available for this compound.