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 208.9
[M+Na]+ 459.20544 212.4
[M-H]- 435.20894 213.6
[M+NH4]+ 454.25004 215.4
[M+K]+ 475.17938 206.6
[M+H-H2O]+ 419.21348 195.3
[M+HCOO]- 481.21442 220.3
[M+CH3COO]- 495.23007 231.3
[M+Na-2H]- 457.19089 207.1
[M]+ 436.21567 207.1
[M]- 436.21677 207.1
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.