CID 23078

Ksd 2482

Structural Information

Molecular Formula
C26H35NO
SMILES
CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4C
InChI
InChI=1S/C26H35NO/c1-26(2,3)24-16-9-8-15-23(24)25(19-11-6-5-7-12-19)28-22-17-20-13-10-14-21(18-22)27(20)4/h5-9,11-12,15-16,20-22,25H,10,13-14,17-18H2,1-4H3
InChIKey
DUVDQSSIRKKZKZ-UHFFFAOYSA-N
Compound name
3-[(2-tert-butylphenyl)-phenylmethoxy]-9-methyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.27185 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.27913 197.8
[M+Na]+ 400.26107 199.5
[M-H]- 376.26457 203.1
[M+NH4]+ 395.30567 209.1
[M+K]+ 416.23501 194.0
[M+H-H2O]+ 360.26911 187.2
[M+HCOO]- 422.27005 207.6
[M+CH3COO]- 436.28570 222.9
[M+Na-2H]- 398.24652 198.1
[M]+ 377.27130 193.2
[M]- 377.27240 193.2
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.