CID 1687

14008-79-8

Structural Information

Molecular Formula
C21H24ClNO
SMILES
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
InChIKey
OCAXFDULERPAJM-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

51
Patents

341.15463 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16191 183.5
[M+Na]+ 364.14385 189.0
[M-H]- 340.14735 190.0
[M+NH4]+ 359.18845 199.2
[M+K]+ 380.11779 182.2
[M+H-H2O]+ 324.15189 174.6
[M+HCOO]- 386.15283 194.5
[M+CH3COO]- 400.16848 192.7
[M+Na-2H]- 362.12930 183.0
[M]+ 341.15408 182.6
[M]- 341.15518 182.6
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