CID 64155

1,3-diazadamantan-6-ol, 5,7-diphenyl-

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1C2(CN3CC(C2O)(CN1C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C20H22N2O/c23-18-19(16-7-3-1-4-8-16)11-21-13-20(18,14-22(12-19)15-21)17-9-5-2-6-10-17/h1-10,18,23H,11-15H2
InChIKey
NFNGKXBNQGZQFD-UHFFFAOYSA-N
Compound name
5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

306.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 169.8
[M+Na]+ 329.16244 172.9
[M-H]- 305.16594 167.5
[M+NH4]+ 324.20704 189.3
[M+K]+ 345.13638 166.8
[M+H-H2O]+ 289.17048 156.7
[M+HCOO]- 351.17142 173.7
[M+CH3COO]- 365.18707 176.4
[M+Na-2H]- 327.14789 181.0
[M]+ 306.17267 168.0
[M]- 306.17377 168.0
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.