CID 71452722

D-153

Structural Information

Molecular Formula
C25H26FNO2
SMILES
C1[C@@H](OC[C@@H](C1O)NCC2=CC=C(C=C2)F)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26FNO2/c26-21-13-11-18(12-14-21)16-27-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-25,27-28H,15-17H2/t22-,23?,24+/m0/s1
InChIKey
FLDLQCILZSMNPF-LIDAZEJRSA-N
Compound name
(2R,5S)-2-benzhydryl-5-[(4-fluorophenyl)methylamino]oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

391.19476 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20204 195.8
[M+Na]+ 414.18398 198.3
[M-H]- 390.18748 204.8
[M+NH4]+ 409.22858 203.3
[M+K]+ 430.15792 192.8
[M+H-H2O]+ 374.19202 183.9
[M+HCOO]- 436.19296 211.4
[M+CH3COO]- 450.20861 203.1
[M+Na-2H]- 412.16943 196.4
[M]+ 391.19421 189.4
[M]- 391.19531 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe