CID 71300839

Mg 28225

Structural Information

Molecular Formula
C27H30N2O4
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O4/c1-20(22-8-9-24-19-25(32-2)11-10-23(24)18-22)27(31)33-17-16-28-12-14-29(15-13-28)26(30)21-6-4-3-5-7-21/h3-11,18-20H,12-17H2,1-2H3/t20-/m0/s1
InChIKey
WPWLIXYSJLBYQJ-FQEVSTJZSA-N
Compound name
2-(4-benzoylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.22055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.22783 209.3
[M+Na]+ 469.20977 222.4
[M+NH4]+ 464.25437 215.1
[M+K]+ 485.18371 214.9
[M-H]- 445.21327 213.9
[M+Na-2H]- 467.19522 216.0
[M]+ 446.22000 212.4
[M]- 446.22110 212.4
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.