CID 44344641

4'-chloro-3-(diphenylmethoxy)tropane

Structural Information

Molecular Formula
C21H24ClNO
SMILES
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H24ClNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3
InChIKey
TWLKFPACEDMNGQ-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
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

No patent data available for this compound.