CID 55232

Brn 4526541

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1CN(CCN1CCCOC2=CC=CC=C2C=O)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O2/c23-17-18-7-4-5-10-20(18)24-16-6-11-21-12-14-22(15-13-21)19-8-2-1-3-9-19/h1-5,7-10,17H,6,11-16H2
InChIKey
KYANSQIWFIOLIH-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 180.8
[M+Na]+ 347.17300 195.2
[M+NH4]+ 342.21760 188.4
[M+K]+ 363.14694 185.9
[M-H]- 323.17650 186.2
[M+Na-2H]- 345.15845 190.0
[M]+ 324.18323 184.4
[M]- 324.18433 184.4
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