CID 23992385

461648-39-5

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2
InChIKey
VUUAKOZGGDHCRP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

293.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 169.1
[M+Na]+ 316.16720 171.2
[M-H]- 292.17070 168.5
[M+NH4]+ 311.21180 187.6
[M+K]+ 332.14114 165.7
[M+H-H2O]+ 276.17524 159.7
[M+HCOO]- 338.17618 176.2
[M+CH3COO]- 352.19183 176.5
[M+Na-2H]- 314.15265 181.0
[M]+ 293.17743 166.3
[M]- 293.17853 166.3
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