CID 29400

Brn 0039810

Structural Information

Molecular Formula
C20H20N2O
SMILES
C1C2(CN3CC1(C(=O)N(C2)C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C20H20N2O/c23-18-20(17-9-5-2-6-10-17)11-19(16-7-3-1-4-8-16)12-21(14-20)15-22(18)13-19/h1-10H,11-15H2
InChIKey
LPVYSZDXQGZULM-UHFFFAOYSA-N
Compound name
5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 174.6
[M+Na]+ 327.14678 188.8
[M+NH4]+ 322.19138 188.8
[M+K]+ 343.12072 174.8
[M-H]- 303.15028 176.9
[M+Na-2H]- 325.13223 178.4
[M]+ 304.15701 177.8
[M]- 304.15811 177.8
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.