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]+ 307.180496 169.8
[M+Na]+ 329.162438 172.9
[M-H]- 305.165944 167.5
[M+NH4]+ 324.207043 189.3
[M+K]+ 345.136378 166.8
[M+H-H2O]+ 289.170480 156.7
[M+HCOO]- 351.171421 173.7
[M+CH3COO]- 365.187071 176.4
[M+Na-2H]- 327.147886 181.0
[M]+ 306.17267142 168.0
[M]- 306.17376858 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

literature stripe

Patent stripe

patents stripe