CID 10091491

Jhw-007

Structural Information

Molecular Formula
C24H29F2NO
SMILES
CCCCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3/t21-,22+,23?
InChIKey
HZEVDVGPBUFIAW-AIZNXBIQSA-N
Compound name
(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-butyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

0
Patents

385.2217 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22898 196.4
[M+Na]+ 408.21092 200.7
[M-H]- 384.21442 200.1
[M+NH4]+ 403.25552 209.5
[M+K]+ 424.18486 193.8
[M+H-H2O]+ 368.21896 184.8
[M+HCOO]- 430.21990 208.8
[M+CH3COO]- 444.23555 203.8
[M+Na-2H]- 406.19637 192.9
[M]+ 385.22115 192.5
[M]- 385.22225 192.5
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

No patent data available for this compound.