CID 71300848

Mg 28249

Structural Information

Molecular Formula
C27H29F3N2O3
SMILES
C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C27H29F3N2O3/c1-19(20-6-7-22-17-25(34-2)9-8-21(22)16-20)26(33)35-15-14-31-10-12-32(13-11-31)24-5-3-4-23(18-24)27(28,29)30/h3-9,16-19H,10-15H2,1-2H3/t19-/m0/s1
InChIKey
DKZOXWCLNWMDHT-IBGZPJMESA-N
Compound name
2-[4-[3-(trifluoromethyl)phenyl]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

486.213 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22028 217.3
[M+Na]+ 509.20222 226.9
[M+NH4]+ 504.24682 220.8
[M+K]+ 525.17616 220.1
[M-H]- 485.20572 217.0
[M+Na-2H]- 507.18767 221.2
[M]+ 486.21245 218.3
[M]- 486.21355 218.3
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.