CID 11688990

2-(2-(4-(3-phenoxybenzyl)piperazin-1-yl)ethoxy)ethanol

Structural Information

Molecular Formula
C21H28N2O3
SMILES
C1CN(CCN1CCOCCO)CC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
InChIKey
SHDFUNGIHDOLQM-UHFFFAOYSA-N
Compound name
2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

356.21 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 187.5
[M+Na]+ 379.19922 190.1
[M-H]- 355.20272 191.2
[M+NH4]+ 374.24382 195.7
[M+K]+ 395.17316 185.0
[M+H-H2O]+ 339.20726 175.7
[M+HCOO]- 401.20820 202.7
[M+CH3COO]- 415.22385 211.0
[M+Na-2H]- 377.18467 189.4
[M]+ 356.20945 185.9
[M]- 356.21055 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe