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

13
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

patents stripe