CID 208099

Tropinyl 2-methyl-benzhydryl ether hydrobromide

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCC(C3)N4C
InChI
InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3
InChIKey
ZYPPUARTBAUFPJ-UHFFFAOYSA-N
Compound name
8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 180.1
[M+Na]+ 344.198478 184.3
[M-H]- 320.201984 186.7
[M+NH4]+ 339.243083 195.8
[M+K]+ 360.172418 178.9
[M+H-H2O]+ 304.206520 170.8
[M+HCOO]- 366.207461 195.5
[M+CH3COO]- 380.223111 189.4
[M+Na-2H]- 342.183926 179.8
[M]+ 321.20871142 177.3
[M]- 321.20980858 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.