CID 55413

Brn 4265912

Structural Information

Molecular Formula
C19H25N3O
SMILES
C1CN(CCN1CCCOC2=CC=CC(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C19H25N3O/c20-17-6-4-9-19(16-17)23-15-5-10-21-11-13-22(14-12-21)18-7-2-1-3-8-18/h1-4,6-9,16H,5,10-15,20H2
InChIKey
XXUFGPBRVNJCJM-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylpiperazin-1-yl)propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

311.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 178.0
[M+Na]+ 334.18899 191.4
[M+NH4]+ 329.23359 185.9
[M+K]+ 350.16293 182.5
[M-H]- 310.19249 184.2
[M+Na-2H]- 332.17444 187.2
[M]+ 311.19922 181.6
[M]- 311.20032 181.6
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

No patent data available for this compound.