CID 197962

3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane;methanesulfonic acid

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C)N1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO/c1-17(2)24-20-13-14-21(24)16-22(15-20)25-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23H,13-16H2,1-2H3
InChIKey
DYUXJDVSNRCJFO-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-8-propan-2-yl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

335.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 184.5
[M+Na]+ 358.214118 186.9
[M-H]- 334.217624 190.6
[M+NH4]+ 353.258723 199.2
[M+K]+ 374.188058 181.8
[M+H-H2O]+ 318.222160 174.9
[M+HCOO]- 380.223101 198.5
[M+CH3COO]- 394.238751 192.9
[M+Na-2H]- 356.199566 183.2
[M]+ 335.22435142 181.0
[M]- 335.22544858 181.0
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.