CID 3044046

4-methyl-alpha-(4-(methylsulfonyl)phenyl)-1-piperazineethanol dimaleate

Structural Information

Molecular Formula
C14H22N2O3S
SMILES
CN1CCN(CC1)CC(C2=CC=C(C=C2)S(=O)(=O)C)O
InChI
InChI=1S/C14H22N2O3S/c1-15-7-9-16(10-8-15)11-14(17)12-3-5-13(6-4-12)20(2,18)19/h3-6,14,17H,7-11H2,1-2H3
InChIKey
BYFICNFURHSEID-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(4-methylsulfonylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1351 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14238 168.3
[M+Na]+ 321.12432 173.7
[M-H]- 297.12782 170.3
[M+NH4]+ 316.16892 180.4
[M+K]+ 337.09826 169.8
[M+H-H2O]+ 281.13236 160.5
[M+HCOO]- 343.13330 177.6
[M+CH3COO]- 357.14895 197.8
[M+Na-2H]- 319.10977 168.7
[M]+ 298.13455 167.1
[M]- 298.13565 167.1
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.