CID 15988

N-methyl-norgranatanol-3-alpha-benzhydrylaether [german]

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]+ 322.21654 178.9
[M+Na]+ 344.19848 181.1
[M-H]- 320.20198 184.4
[M+NH4]+ 339.24308 192.1
[M+K]+ 360.17242 175.7
[M+H-H2O]+ 304.20652 168.2
[M+HCOO]- 366.20746 191.9
[M+CH3COO]- 380.22311 186.9
[M+Na-2H]- 342.18393 181.3
[M]+ 321.20871 173.2
[M]- 321.20981 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.