CID 23073

Ksd 2359

Structural Information

Molecular Formula
C23H29NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4C
InChI
InChI=1S/C23H29NO/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22-15-20-9-6-10-21(16-22)24(20)2/h3-5,7-8,11-14,20-23H,6,9-10,15-16H2,1-2H3
InChIKey
DHWIOMVMOLKSKO-UHFFFAOYSA-N
Compound name
9-methyl-3-[(4-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 184.0
[M+Na]+ 358.214118 186.6
[M-H]- 334.217624 189.6
[M+NH4]+ 353.258723 196.8
[M+K]+ 374.188058 181.1
[M+H-H2O]+ 318.222160 173.2
[M+HCOO]- 380.223101 196.5
[M+CH3COO]- 394.238751 191.9
[M+Na-2H]- 356.199566 185.0
[M]+ 335.22435142 178.9
[M]- 335.22544858 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.