CID 421188

Alpha-benzyl-4-(o-tolyl)-1-piperazineethanol

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(CC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O/c1-17-7-5-6-10-20(17)22-13-11-21(12-14-22)16-19(23)15-18-8-3-2-4-9-18/h2-10,19,23H,11-16H2,1H3
InChIKey
GNSWLXANORETEF-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 177.5
[M+Na]+ 333.193718 180.6
[M-H]- 309.197224 181.5
[M+NH4]+ 328.238323 187.8
[M+K]+ 349.167658 174.9
[M+H-H2O]+ 293.201760 166.6
[M+HCOO]- 355.202701 191.7
[M+CH3COO]- 369.218351 185.5
[M+Na-2H]- 331.179166 178.7
[M]+ 310.20395142 172.2
[M]- 310.20504858 172.2
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.