CID 3087251

1-(4-cyclopentylphenyl)-4-(2-(3,4-dimethoxyphenyl)ethyl)piperazine maleate

Structural Information

Molecular Formula
C25H34N2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=C(C=C3)C4CCCC4)OC
InChI
InChI=1S/C25H34N2O2/c1-28-24-12-7-20(19-25(24)29-2)13-14-26-15-17-27(18-16-26)23-10-8-22(9-11-23)21-5-3-4-6-21/h7-12,19,21H,3-6,13-18H2,1-2H3
InChIKey
SZLGAEWMUHWRSZ-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.26202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26930 200.2
[M+Na]+ 417.25124 202.6
[M-H]- 393.25474 208.4
[M+NH4]+ 412.29584 209.5
[M+K]+ 433.22518 196.9
[M+H-H2O]+ 377.25928 188.0
[M+HCOO]- 439.26022 214.6
[M+CH3COO]- 453.27587 207.4
[M+Na-2H]- 415.23669 196.1
[M]+ 394.26147 196.5
[M]- 394.26257 196.5
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