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 211.3
[M+Na]+ 448.26107 227.1
[M+NH4]+ 443.30567 221.0
[M+K]+ 464.23501 215.0
[M-H]- 424.26457 220.4
[M+Na-2H]- 446.24652 220.6
[M]+ 425.27130 216.4
[M]- 425.27240 216.4
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.