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 177.5
[M+Na]+ 333.19372 181.3
[M-H]- 309.19722 182.7
[M+NH4]+ 328.23832 188.5
[M+K]+ 349.16766 176.0
[M+H-H2O]+ 293.20176 166.0
[M+HCOO]- 355.20270 194.2
[M+CH3COO]- 369.21835 186.2
[M+Na-2H]- 331.17917 180.2
[M]+ 310.20395 174.5
[M]- 310.20505 174.5
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.