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 175.6
[M+Na]+ 343.17809 179.1
[M-H]- 319.18159 173.3
[M+NH4]+ 338.22269 194.8
[M+K]+ 359.15203 172.7
[M+H-H2O]+ 303.18613 162.4
[M+HCOO]- 365.18707 178.9
[M+CH3COO]- 379.20272 181.9
[M+Na-2H]- 341.16354 185.5
[M]+ 320.18832 174.4
[M]- 320.18942 174.4
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.