CID 71300843

Mg 28232

Structural Information

Molecular Formula
C29H34N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C29H34N2O3/c1-23(25-10-11-27-22-28(33-2)13-12-26(27)21-25)29(32)34-20-19-31-17-15-30(16-18-31)14-6-9-24-7-4-3-5-8-24/h3-13,21-23H,14-20H2,1-2H3/b9-6+/t23-/m0/s1
InChIKey
RBGDOSMJXVPREI-CJHOVAGGSA-N
Compound name
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25696 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 216.8
[M+Na]+ 481.24618 230.3
[M+NH4]+ 476.29078 222.9
[M+K]+ 497.22012 220.8
[M-H]- 457.24968 221.9
[M+Na-2H]- 479.23163 223.6
[M]+ 458.25641 220.1
[M]- 458.25751 220.1
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.