CID 214289

28027-87-4

Structural Information

Molecular Formula
C29H31F3N2O
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)(C5=CC(=CC=C5)C(F)(F)F)O
InChI
InChI=1S/C29H31F3N2O/c30-29(31,32)25-10-5-9-24(21-25)28(35)15-19-33(20-16-28)17-6-18-34-26-11-3-1-7-22(26)13-14-23-8-2-4-12-27(23)34/h1-5,7-12,21,35H,6,13-20H2
InChIKey
NZBGLMRMUDPMOR-UHFFFAOYSA-N
Compound name
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.23886 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.24614 211.4
[M+Na]+ 503.22808 220.7
[M+NH4]+ 498.27268 217.4
[M+K]+ 519.20202 211.8
[M-H]- 479.23158 212.6
[M+Na-2H]- 501.21353 217.0
[M]+ 480.23831 213.2
[M]- 480.23941 213.2
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.