CID 71300837

Mg 28251

Structural Information

Molecular Formula
C26H30N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O3/c1-20(21-8-9-23-19-25(30-2)11-10-22(23)18-21)26(29)31-17-16-27-12-14-28(15-13-27)24-6-4-3-5-7-24/h3-11,18-20H,12-17H2,1-2H3/t20-/m0/s1
InChIKey
YGSGGXDLAZTDMR-FQEVSTJZSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.22565 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 204.6
[M+Na]+ 441.21487 218.7
[M+NH4]+ 436.25947 211.5
[M+K]+ 457.18881 210.0
[M-H]- 417.21837 210.1
[M+Na-2H]- 439.20032 212.2
[M]+ 418.22510 208.2
[M]- 418.22620 208.2
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.