CID 23086

Ksd 2118

Structural Information

Molecular Formula
C22H26ClNO
SMILES
CN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H26ClNO/c1-24-19-8-5-9-20(24)15-21(14-19)25-22(16-6-3-2-4-7-16)17-10-12-18(23)13-11-17/h2-4,6-7,10-13,19-22H,5,8-9,14-15H2,1H3
InChIKey
GLQASCBBGDNRPG-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethoxy]-9-methyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1703 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17758 186.2
[M+Na]+ 378.15952 190.1
[M-H]- 354.16302 191.7
[M+NH4]+ 373.20412 199.2
[M+K]+ 394.13346 183.3
[M+H-H2O]+ 338.16756 176.1
[M+HCOO]- 400.16850 194.5
[M+CH3COO]- 414.18415 194.1
[M+Na-2H]- 376.14497 187.2
[M]+ 355.16975 183.3
[M]- 355.17085 183.3
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.