CID 91032

23904-95-2

Structural Information

Molecular Formula
C26H30ClN3O
SMILES
C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C26H30ClN3O/c27-24-13-11-23(12-14-24)26(22-8-2-1-3-9-22)31-21-7-6-16-29-17-19-30(20-18-29)25-10-4-5-15-28-25/h1-5,8-15,26H,6-7,16-21H2
InChIKey
JXDKJPCAQZNELZ-UHFFFAOYSA-N
Compound name
1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.20773 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21501 207.5
[M+Na]+ 458.19695 210.0
[M-H]- 434.20045 213.0
[M+NH4]+ 453.24155 211.7
[M+K]+ 474.17089 201.5
[M+H-H2O]+ 418.20499 192.8
[M+HCOO]- 480.20593 215.9
[M+CH3COO]- 494.22158 212.8
[M+Na-2H]- 456.18240 207.7
[M]+ 435.20718 205.6
[M]- 435.20828 205.6
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.