CID 3044040

1-(4-methanesulfonylphenyl)-2-(4-phenylpiperazino)ethanol maleate

Structural Information

Molecular Formula
C19H24N2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C19H24N2O3S/c1-25(23,24)18-9-7-16(8-10-18)19(22)15-20-11-13-21(14-12-20)17-5-3-2-4-6-17/h2-10,19,22H,11-15H2,1H3
InChIKey
QIZHAZYEDXKCRA-UHFFFAOYSA-N
Compound name
1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15804 184.2
[M+Na]+ 383.13998 188.7
[M-H]- 359.14348 188.8
[M+NH4]+ 378.18458 193.1
[M+K]+ 399.11392 183.1
[M+H-H2O]+ 343.14802 174.6
[M+HCOO]- 405.14896 193.2
[M+CH3COO]- 419.16461 208.8
[M+Na-2H]- 381.12543 184.8
[M]+ 360.15021 182.0
[M]- 360.15131 182.0
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

patents stripe