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]+ 298.191376 173.4
[M+Na]+ 320.173318 177.5
[M-H]- 296.176824 176.4
[M+NH4]+ 315.217923 182.8
[M+K]+ 336.147258 171.9
[M+H-H2O]+ 280.181360 162.0
[M+HCOO]- 342.182301 186.9
[M+CH3COO]- 356.197951 181.5
[M+Na-2H]- 318.158766 175.7
[M]+ 297.18355142 168.0
[M]- 297.18464858 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.