CID 1229947

1-(4-cyclopentylphenyl)-4-(2-phenylethyl)piperazine maleate

Structural Information

Molecular Formula
C23H30N2
SMILES
C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C23H30N2/c1-2-6-20(7-3-1)14-15-24-16-18-25(19-17-24)23-12-10-22(11-13-23)21-8-4-5-9-21/h1-3,6-7,10-13,21H,4-5,8-9,14-19H2
InChIKey
PZGUBDJZDQGKRD-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-4-(2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 184.5
[M+Na]+ 357.23012 186.3
[M-H]- 333.23362 192.2
[M+NH4]+ 352.27472 195.8
[M+K]+ 373.20406 179.6
[M+H-H2O]+ 317.23816 172.4
[M+HCOO]- 379.23910 199.2
[M+CH3COO]- 393.25475 192.2
[M+Na-2H]- 355.21557 182.6
[M]+ 334.24035 176.5
[M]- 334.24145 176.5
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

patents stripe