CID 71300841

Mg 28229 hydrochloride

Structural Information

Molecular Formula
C29H32N2O4
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C29H32N2O4/c1-22(24-9-10-26-21-27(34-2)12-11-25(26)20-24)29(33)35-19-18-30-14-16-31(17-15-30)28(32)13-8-23-6-4-3-5-7-23/h3-13,20-22H,14-19H2,1-2H3/b13-8+/t22-/m0/s1
InChIKey
KMVINHHZKAHOLR-SYZXBLONSA-N
Compound name
2-[4-[(E)-3-phenylprop-2-enoyl]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

472.2362 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.24348 217.0
[M+Na]+ 495.22542 229.6
[M+NH4]+ 490.27002 222.1
[M+K]+ 511.19936 221.6
[M-H]- 471.22892 221.2
[M+Na-2H]- 493.21087 223.0
[M]+ 472.23565 219.8
[M]- 472.23675 219.8
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.