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 188.5
[M+Na]+ 397.15562 193.4
[M-H]- 373.15912 193.3
[M+NH4]+ 392.20022 197.1
[M+K]+ 413.12956 187.7
[M+H-H2O]+ 357.16366 179.0
[M+HCOO]- 419.16460 197.2
[M+CH3COO]- 433.18025 213.0
[M+Na-2H]- 395.14107 188.0
[M]+ 374.16585 187.1
[M]- 374.16695 187.1
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.