CID 9887077

322473-89-2

Structural Information

Molecular Formula
C28H31NO
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
InChIKey
LOSJNRBXNQTUNT-UHFFFAOYSA-N
Compound name
8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

28
Patents

397.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.24785 201.6
[M+Na]+ 420.22979 205.9
[M-H]- 396.23329 210.1
[M+NH4]+ 415.27439 215.0
[M+K]+ 436.20373 198.2
[M+H-H2O]+ 380.23783 190.6
[M+HCOO]- 442.23877 214.5
[M+CH3COO]- 456.25442 209.1
[M+Na-2H]- 418.21524 199.9
[M]+ 397.24002 196.9
[M]- 397.24112 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe