CID 3044042

1-(4-methanesulfonylphenyl)-2-(4-p-tolylpiperazino)ethanol maleate

Structural Information

Molecular Formula
C20H26N2O3S
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC(C3=CC=C(C=C3)S(=O)(=O)C)O
InChI
InChI=1S/C20H26N2O3S/c1-16-3-7-18(8-4-16)22-13-11-21(12-14-22)15-20(23)17-5-9-19(10-6-17)26(2,24)25/h3-10,20,23H,11-15H2,1-2H3
InChIKey
CXHZEOWKWDXCTG-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1664 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17368 187.3
[M+Na]+ 397.15562 199.6
[M+NH4]+ 392.20022 193.6
[M+K]+ 413.12956 191.6
[M-H]- 373.15912 190.8
[M+Na-2H]- 395.14107 194.5
[M]+ 374.16585 190.5
[M]- 374.16695 190.5
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.