CID 23071

6605-93-2

Structural Information

Molecular Formula
C23H29NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4C
InChI
InChI=1S/C23H29NO/c1-17-9-6-7-14-22(17)23(18-10-4-3-5-11-18)25-21-15-19-12-8-13-20(16-21)24(19)2/h3-7,9-11,14,19-21,23H,8,12-13,15-16H2,1-2H3
InChIKey
BYKNSXWHNLUBNE-UHFFFAOYSA-N
Compound name
9-methyl-3-[(2-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]+ 336.23218 184.0
[M+Na]+ 358.21412 186.6
[M-H]- 334.21762 189.6
[M+NH4]+ 353.25872 196.8
[M+K]+ 374.18806 181.1
[M+H-H2O]+ 318.22216 173.2
[M+HCOO]- 380.22310 196.5
[M+CH3COO]- 394.23875 191.9
[M+Na-2H]- 356.19957 185.0
[M]+ 335.22435 178.9
[M]- 335.22545 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.