CID 1229947

Piperazine, 1-(4-cyclopentylphenyl)-4-(2-phenylethyl)-, (z)-2-butenedioate (1:1)

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]+ 335.248176 184.5
[M+Na]+ 357.230118 186.3
[M-H]- 333.233624 192.2
[M+NH4]+ 352.274723 195.8
[M+K]+ 373.204058 179.6
[M+H-H2O]+ 317.238160 172.4
[M+HCOO]- 379.239101 199.2
[M+CH3COO]- 393.254751 192.2
[M+Na-2H]- 355.215566 182.6
[M]+ 334.24035142 176.5
[M]- 334.24144858 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