CID 91077

1-(p-tert-butylbenzyl)-4-(4-alpha-p-chlorophenylbenzyloxybutyl)piperazine dimaleate

Structural Information

Molecular Formula
C32H41ClN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CCCCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C32H41ClN2O/c1-32(2,3)29-15-11-26(12-16-29)25-35-22-20-34(21-23-35)19-7-8-24-36-31(27-9-5-4-6-10-27)28-13-17-30(33)18-14-28/h4-6,9-18,31H,7-8,19-25H2,1-3H3
InChIKey
YRFFNMSLQAUOPP-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.29074 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.29802 233.3
[M+Na]+ 527.27996 248.9
[M+NH4]+ 522.32456 240.7
[M+K]+ 543.25390 237.2
[M-H]- 503.28346 241.0
[M+Na-2H]- 525.26541 243.1
[M]+ 504.29019 238.4
[M]- 504.29129 238.4
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.