CID 3044812

57734-80-2

Structural Information

Molecular Formula
C24H31NO
SMILES
CC1=C(C=C(C=C1)C(C2CN3CCC2CC3)(C4=CC(=C(C=C4)C)C)O)C
InChI
InChI=1S/C24H31NO/c1-16-5-7-21(13-18(16)3)24(26,22-8-6-17(2)19(4)14-22)23-15-25-11-9-20(23)10-12-25/h5-8,13-14,20,23,26H,9-12,15H2,1-4H3
InChIKey
AIEOARPRTKSOKM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

349.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24785 190.7
[M+Na]+ 372.22979 193.9
[M-H]- 348.23329 190.5
[M+NH4]+ 367.27439 206.2
[M+K]+ 388.20373 188.0
[M+H-H2O]+ 332.23783 182.0
[M+HCOO]- 394.23877 195.9
[M+CH3COO]- 408.25442 197.3
[M+Na-2H]- 370.21524 196.0
[M]+ 349.24002 190.5
[M]- 349.24112 190.5
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