CID 71300833

Mg 28185

Structural Information

Molecular Formula
C27H32N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C27H32N2O3/c1-21(23-8-9-25-19-26(31-2)11-10-24(25)18-23)27(30)32-17-16-28-12-14-29(15-13-28)20-22-6-4-3-5-7-22/h3-11,18-19,21H,12-17,20H2,1-2H3/t21-/m0/s1
InChIKey
XQIUVDPKCXBOLN-NRFANRHFSA-N
Compound name
2-(4-benzylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.24858 209.0
[M+Na]+ 455.23052 222.9
[M+NH4]+ 450.27512 215.8
[M+K]+ 471.20446 214.0
[M-H]- 431.23402 214.5
[M+Na-2H]- 453.21597 216.4
[M]+ 432.24075 212.6
[M]- 432.24185 212.6
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.