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 181.4
[M+Na]+ 369.13402 185.5
[M-H]- 345.13752 185.3
[M+NH4]+ 364.17862 191.0
[M+K]+ 385.10796 179.2
[M+H-H2O]+ 329.14206 170.8
[M+HCOO]- 391.14300 191.5
[M+CH3COO]- 405.15865 189.3
[M+Na-2H]- 367.11947 182.7
[M]+ 346.14425 179.4
[M]- 346.14535 179.4
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