CID 28303

1,3-diazaadamantan-6-ol, 5,7-diphenyl-2-methyl-

Structural Information

Molecular Formula
C21H24N2O
SMILES
CC1N2CC3(CN1CC(C2)(C3O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H24N2O/c1-16-22-12-20(17-8-4-2-5-9-17)13-23(16)15-21(14-22,19(20)24)18-10-6-3-7-11-18/h2-11,16,19,24H,12-15H2,1H3
InChIKey
JXCBUUQASTWSIF-UHFFFAOYSA-N
Compound name
2-methyl-5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.3
[M+Na]+ 343.17809 193.2
[M+NH4]+ 338.22269 193.4
[M+K]+ 359.15203 179.4
[M-H]- 319.18159 181.4
[M+Na-2H]- 341.16354 182.3
[M]+ 320.18832 182.4
[M]- 320.18942 182.4
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

No patent data available for this compound.