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]+ 322.21654 178.6
[M+Na]+ 344.19848 180.4
[M-H]- 320.20198 182.7
[M+NH4]+ 339.24308 191.1
[M+K]+ 360.17242 174.2
[M+H-H2O]+ 304.20652 168.4
[M+HCOO]- 366.20746 190.1
[M+CH3COO]- 380.22311 186.0
[M+Na-2H]- 342.18393 180.7
[M]+ 321.20871 171.2
[M]- 321.20981 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.