CID 55414

Brn 4530217

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 312.207046 176.3
[M+Na]+ 334.188988 179.8
[M-H]- 310.192494 181.2
[M+NH4]+ 329.233593 186.7
[M+K]+ 350.162928 174.2
[M+H-H2O]+ 294.197030 164.9
[M+HCOO]- 356.197971 193.8
[M+CH3COO]- 370.213621 184.7
[M+Na-2H]- 332.174436 179.2
[M]+ 311.19922142 171.5
[M]- 311.20031858 171.5
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.