CID 55233

Brn 4526592

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1CN(CCN1CCCOC2=CC=CC(=C2)C=O)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O2/c23-17-18-6-4-9-20(16-18)24-15-5-10-21-11-13-22(14-12-21)19-7-2-1-3-8-19/h1-4,6-9,16-17H,5,10-15H2
InChIKey
HOGGVOXUHXADJC-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.6
[M+Na]+ 347.17300 183.6
[M-H]- 323.17650 184.8
[M+NH4]+ 342.21760 189.8
[M+K]+ 363.14694 178.2
[M+H-H2O]+ 307.18104 167.9
[M+HCOO]- 369.18198 196.6
[M+CH3COO]- 383.19763 207.8
[M+Na-2H]- 345.15845 182.3
[M]+ 324.18323 177.3
[M]- 324.18433 177.3
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

No patent data available for this compound.