CID 23079

Ksd 2416

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4
InChI
InChI=1S/C22H27NO/c1-16-8-5-6-13-21(16)22(17-9-3-2-4-10-17)24-20-14-18-11-7-12-19(15-20)23-18/h2-6,8-10,13,18-20,22-23H,7,11-12,14-15H2,1H3
InChIKey
WDNNRZRPBMBVDY-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 178.6
[M+Na]+ 344.198478 180.4
[M-H]- 320.201984 182.7
[M+NH4]+ 339.243083 191.1
[M+K]+ 360.172418 174.2
[M+H-H2O]+ 304.206520 168.4
[M+HCOO]- 366.207461 190.1
[M+CH3COO]- 380.223111 186.0
[M+Na-2H]- 342.183926 180.7
[M]+ 321.20871142 171.2
[M]- 321.20980858 171.2
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.