CID 3044807

57734-71-1

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC(=CC=C1)C(C2CN3CCC2CC3)(C4=CC=CC(=C4)C)O
InChI
InChI=1S/C22H27NO/c1-16-5-3-7-19(13-16)22(24,20-8-4-6-17(2)14-20)21-15-23-11-9-18(21)10-12-23/h3-8,13-14,18,21,24H,9-12,15H2,1-2H3
InChIKey
KZVSEVOHAFPIRQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(3-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 175.2
[M+Na]+ 344.19848 188.8
[M+NH4]+ 339.24308 186.2
[M+K]+ 360.17242 179.6
[M-H]- 320.20198 177.9
[M+Na-2H]- 342.18393 178.0
[M]+ 321.20871 178.2
[M]- 321.20981 178.2
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

patents stripe