CID 45271200

Ahn1055

Structural Information

Molecular Formula
C21H23F2NO
SMILES
CN1[C@@H]2CC[C@@H]1CC(C2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3/t18-,19-/m1/s1
InChIKey
MHNSOBBJZCWUGS-RTBURBONSA-N
Compound name
(1R,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

343.17477 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18205 184.6
[M+Na]+ 366.16399 196.2
[M+NH4]+ 361.20859 192.6
[M+K]+ 382.13793 189.3
[M-H]- 342.16749 187.1
[M+Na-2H]- 364.14944 189.1
[M]+ 343.17422 186.8
[M]- 343.17532 186.8
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