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]+ 453.25365 214.8
[M+Na]+ 475.23559 217.2
[M-H]- 451.23909 222.0
[M+NH4]+ 470.28019 219.2
[M+K]+ 491.20953 209.1
[M+H-H2O]+ 435.24363 200.5
[M+HCOO]- 497.24457 226.0
[M+CH3COO]- 511.26022 219.9
[M+Na-2H]- 473.22104 214.4
[M]+ 452.24582 210.3
[M]- 452.24692 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.