CID 91020

23904-89-4

Structural Information

Molecular Formula
C27H31ClN2O
SMILES
C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C27H31ClN2O/c28-25-15-13-24(14-16-25)27(23-9-3-1-4-10-23)31-22-8-7-17-29-18-20-30(21-19-29)26-11-5-2-6-12-26/h1-6,9-16,27H,7-8,17-22H2
InChIKey
MEOXICBOVKZLGT-UHFFFAOYSA-N
Compound name
1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2125 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.21978 208.4
[M+Na]+ 457.20172 210.6
[M-H]- 433.20522 215.3
[M+NH4]+ 452.24632 214.2
[M+K]+ 473.17566 202.1
[M+H-H2O]+ 417.20976 194.7
[M+HCOO]- 479.21070 217.9
[M+CH3COO]- 493.22635 214.1
[M+Na-2H]- 455.18717 207.9
[M]+ 434.21195 206.5
[M]- 434.21305 206.5
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.