CID 15988

1927-08-8

Structural Information

Molecular Formula
C22H27NO
SMILES
CN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H27NO/c1-23-19-13-8-14-20(23)16-21(15-19)24-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-22H,8,13-16H2,1H3
InChIKey
DTDYYBIONIVPBL-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-9-methyl-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.216536 178.9
[M+Na]+ 344.198478 181.1
[M-H]- 320.201984 184.4
[M+NH4]+ 339.243083 192.1
[M+K]+ 360.172418 175.7
[M+H-H2O]+ 304.206520 168.2
[M+HCOO]- 366.207461 191.9
[M+CH3COO]- 380.223111 186.9
[M+Na-2H]- 342.183926 181.3
[M]+ 321.20871142 173.2
[M]- 321.20980858 173.2
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.