CID 71300836

Mg 28248

Structural Information

Molecular Formula
C26H29FN2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H29FN2O3/c1-19(20-3-4-22-18-25(31-2)10-5-21(22)17-20)26(30)32-16-15-28-11-13-29(14-12-28)24-8-6-23(27)7-9-24/h3-10,17-19H,11-16H2,1-2H3/t19-/m0/s1
InChIKey
BXXQGUHPZLMBHT-IBGZPJMESA-N
Compound name
2-[4-(4-fluorophenyl)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

436.21622 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22350 209.6
[M+Na]+ 459.20544 222.9
[M+NH4]+ 454.25004 215.6
[M+K]+ 475.17938 214.4
[M-H]- 435.20894 213.5
[M+Na-2H]- 457.19089 216.0
[M]+ 436.21567 212.5
[M]- 436.21677 212.5
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.