CID 91024

23904-91-8

Structural Information

Molecular Formula
C28H33ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H33ClN2O2/c1-32-27-12-6-5-11-26(27)31-20-18-30(19-21-31)17-7-8-22-33-28(23-9-3-2-4-10-23)24-13-15-25(29)16-14-24/h2-6,9-16,28H,7-8,17-22H2,1H3
InChIKey
YZBDRAAMEVBRKR-UHFFFAOYSA-N
Compound name
1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.22305 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23033 216.0
[M+Na]+ 487.21227 218.5
[M-H]- 463.21577 223.2
[M+NH4]+ 482.25687 220.8
[M+K]+ 503.18621 210.7
[M+H-H2O]+ 447.22031 202.1
[M+HCOO]- 509.22125 225.4
[M+CH3COO]- 523.23690 221.5
[M+Na-2H]- 485.19772 214.4
[M]+ 464.22250 216.3
[M]- 464.22360 216.3
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.