CID 28304

1,3-diazaadamantan-6-ol, 5,7-diphenyl-2-(2-furyl)-

Structural Information

Molecular Formula
C24H24N2O2
SMILES
C1C2(CN3CC(C2O)(CN1C3C4=CC=CO4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C24H24N2O2/c27-22-23(18-8-3-1-4-9-18)14-25-16-24(22,19-10-5-2-6-11-19)17-26(15-23)21(25)20-12-7-13-28-20/h1-13,21-22,27H,14-17H2
InChIKey
JXIMVXSHZSUOLN-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-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

372.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19106 178.0
[M+Na]+ 395.17300 181.6
[M-H]- 371.17650 179.8
[M+NH4]+ 390.21760 195.2
[M+K]+ 411.14694 176.1
[M+H-H2O]+ 355.18104 164.3
[M+HCOO]- 417.18198 182.0
[M+CH3COO]- 431.19763 184.7
[M+Na-2H]- 393.15845 185.9
[M]+ 372.18323 178.2
[M]- 372.18433 178.2
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.