CID 3044811

57734-78-8

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1=CC=C(C=C1)C(C2CN3CCC2CC3)(C4=CC=C(C=C4)C)O
InChI
InChI=1S/C22H27NO/c1-16-3-7-19(8-4-16)22(24,20-9-5-17(2)6-10-20)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3
InChIKey
MPYGRCSWFPADAL-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(4-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 179.0
[M+Na]+ 344.19848 181.4
[M-H]- 320.20198 178.6
[M+NH4]+ 339.24308 195.1
[M+K]+ 360.17242 175.8
[M+H-H2O]+ 304.20652 170.3
[M+HCOO]- 366.20746 185.1
[M+CH3COO]- 380.22311 186.0
[M+Na-2H]- 342.18393 187.0
[M]+ 321.20871 177.5
[M]- 321.20981 177.5
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