CID 24842168

102233-25-0

Structural Information

Molecular Formula
C30H32N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC=C3C4=CC=CC5=CC=CC=C54)O
InChI
InChI=1S/C30H32N2O2/c1-23-9-2-6-15-29(23)32-19-17-31(18-20-32)21-25(33)22-34-30-16-7-5-13-28(30)27-14-8-11-24-10-3-4-12-26(24)27/h2-16,25,33H,17-22H2,1H3
InChIKey
RXKOHSCNLPZEHB-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-(2-naphthalen-1-ylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24637 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.253646 214.8
[M+Na]+ 475.235588 217.2
[M-H]- 451.239094 222.0
[M+NH4]+ 470.280193 219.2
[M+K]+ 491.209528 209.1
[M+H-H2O]+ 435.243630 200.5
[M+HCOO]- 497.244571 226.0
[M+CH3COO]- 511.260221 219.9
[M+Na-2H]- 473.221036 214.4
[M]+ 452.24582142 210.3
[M]- 452.24691858 210.3
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.