CID 3044991

1-piperazineethanol, alpha-(3-pyridyl)-4-(o-tolyl)-

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(C3=CN=CC=C3)O
InChI
InChI=1S/C18H23N3O/c1-15-5-2-3-7-17(15)21-11-9-20(10-12-21)14-18(22)16-6-4-8-19-13-16/h2-8,13,18,22H,9-12,14H2,1H3
InChIKey
TXWCDDRRZFHJOF-UHFFFAOYSA-N
Compound name
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 173.4
[M+Na]+ 320.17332 177.5
[M-H]- 296.17682 176.4
[M+NH4]+ 315.21792 182.8
[M+K]+ 336.14726 171.9
[M+H-H2O]+ 280.18136 162.0
[M+HCOO]- 342.18230 186.9
[M+CH3COO]- 356.19795 181.5
[M+Na-2H]- 318.15877 175.7
[M]+ 297.18355 168.0
[M]- 297.18465 168.0
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

No patent data available for this compound.