CID 28306

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

Structural Information

Molecular Formula
C24H30N2O
SMILES
CCCC1(N2CC3(CN1CC(C2)(C3O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C24H30N2O/c1-3-14-22(2)25-15-23(19-10-6-4-7-11-19)16-26(22)18-24(17-25,21(23)27)20-12-8-5-9-13-20/h4-13,21,27H,3,14-18H2,1-2H3
InChIKey
GGBPTCDMNBYSBA-UHFFFAOYSA-N
Compound name
2-methyl-5,7-diphenyl-2-propyl-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

362.2358 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.243076 189.6
[M+Na]+ 385.225018 193.0
[M-H]- 361.228524 187.0
[M+NH4]+ 380.269623 208.9
[M+K]+ 401.198958 186.1
[M+H-H2O]+ 345.233060 174.9
[M+HCOO]- 407.234001 191.7
[M+CH3COO]- 421.249651 194.9
[M+Na-2H]- 383.210466 198.4
[M]+ 362.23525142 189.5
[M]- 362.23634858 189.5
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

No patent data available for this compound.