CID 827350

125849-24-3

Structural Information

Molecular Formula
C20H26N2O2
SMILES
C1CN(CCN1CCO)CCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-9,23H,10-17H2
InChIKey
BPLOTEOIDDVPGW-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-phenylphenoxy)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 180.5
[M+Na]+ 349.18865 183.7
[M-H]- 325.19215 184.4
[M+NH4]+ 344.23325 190.1
[M+K]+ 365.16259 178.2
[M+H-H2O]+ 309.19669 169.1
[M+HCOO]- 371.19763 195.9
[M+CH3COO]- 385.21328 206.0
[M+Na-2H]- 347.17410 182.8
[M]+ 326.19888 177.1
[M]- 326.19998 177.1
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

patents stripe