CID 202141

7550-24-5

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC1=CC=C(C=C1)C(CO)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-16-7-9-17(10-8-16)19(15-22)21-13-11-20(12-14-21)18-5-3-2-4-6-18/h2-10,19,22H,11-15H2,1H3
InChIKey
LSBTUZMZAVUNBV-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 173.1
[M+Na]+ 319.178088 176.7
[M-H]- 295.181594 177.3
[M+NH4]+ 314.222693 184.0
[M+K]+ 335.152028 171.2
[M+H-H2O]+ 279.186130 162.4
[M+HCOO]- 341.187071 187.7
[M+CH3COO]- 355.202721 181.6
[M+Na-2H]- 317.163536 174.8
[M]+ 296.18832142 167.5
[M]- 296.18941858 167.5
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.