CID 23077

Ksd 2454

Structural Information

Molecular Formula
C30H35NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4CCC5=CC=CC=C5
InChI
InChI=1S/C30H35NO/c1-23-11-8-9-18-29(23)30(25-14-6-3-7-15-25)32-28-21-26-16-10-17-27(22-28)31(26)20-19-24-12-4-2-5-13-24/h2-9,11-15,18,26-28,30H,10,16-17,19-22H2,1H3
InChIKey
HHAVPYYSIKDDQA-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)-phenylmethoxy]-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.27185 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.27913 208.7
[M+Na]+ 448.26107 209.1
[M-H]- 424.26457 216.1
[M+NH4]+ 443.30567 216.7
[M+K]+ 464.23501 201.6
[M+H-H2O]+ 408.26911 195.2
[M+HCOO]- 470.27005 219.6
[M+CH3COO]- 484.28570 214.0
[M+Na-2H]- 446.24652 208.0
[M]+ 425.27130 202.7
[M]- 425.27240 202.7
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.