CID 258324

1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C19H24N2O2
SMILES
C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O2/c22-18(16-23-19-9-5-2-6-10-19)15-20-11-13-21(14-12-20)17-7-3-1-4-8-17/h1-10,18,22H,11-16H2
InChIKey
MHBQOAILOCNGPI-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

312.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 175.6
[M+Na]+ 335.17300 178.1
[M-H]- 311.17650 179.4
[M+NH4]+ 330.21760 185.4
[M+K]+ 351.14694 173.2
[M+H-H2O]+ 295.18104 164.5
[M+HCOO]- 357.18198 190.4
[M+CH3COO]- 371.19763 183.6
[M+Na-2H]- 333.15845 178.2
[M]+ 312.18323 171.0
[M]- 312.18433 171.0
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