CID 3069139

Brn 4517055

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O/c1-18-7-5-10-20(17-18)23-16-6-11-21-12-14-22(15-13-21)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3
InChIKey
KLYJRSQDUKQBJR-UHFFFAOYSA-N
Compound name
1-[3-(3-methylphenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 178.7
[M+Na]+ 333.19372 193.5
[M+NH4]+ 328.23832 187.1
[M+K]+ 349.16766 183.7
[M-H]- 309.19722 184.8
[M+Na-2H]- 331.17917 188.4
[M]+ 310.20395 182.6
[M]- 310.20505 182.6
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.