CID 98228

1047-41-2

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H23ClN2O2/c20-18-8-4-5-9-19(18)22-12-10-21(11-13-22)14-16(23)15-24-17-6-2-1-3-7-17/h1-9,16,23H,10-15H2
InChIKey
ALGOVWYEAXZOKG-UHFFFAOYSA-N
Compound name
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

346.1448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 182.9
[M+Na]+ 369.13402 197.4
[M+NH4]+ 364.17862 190.7
[M+K]+ 385.10796 188.7
[M-H]- 345.13752 187.9
[M+Na-2H]- 367.11947 191.6
[M]+ 346.14425 186.7
[M]- 346.14535 186.7
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