CID 3064353

4-piperidinol, 1-((2-phenylcyclopropyl)methyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (e)-

Structural Information

Molecular Formula
C22H24F3NO
SMILES
C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C22H24F3NO/c23-22(24,25)19-8-4-7-18(14-19)21(27)9-11-26(12-10-21)15-17-13-20(17)16-5-2-1-3-6-16/h1-8,14,17,20,27H,9-13,15H2/t17-,20-/m0/s1
InChIKey
RQHXTKRUAHNIES-PXNSSMCTSA-N
Compound name
1-[[(1R,2R)-2-phenylcyclopropyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.181 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18828 183.4
[M+Na]+ 398.17022 190.1
[M-H]- 374.17372 188.9
[M+NH4]+ 393.21482 190.1
[M+K]+ 414.14416 184.1
[M+H-H2O]+ 358.17826 171.6
[M+HCOO]- 420.17920 195.4
[M+CH3COO]- 434.19485 191.0
[M+Na-2H]- 396.15567 184.6
[M]+ 375.18045 177.4
[M]- 375.18155 177.4
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.