CID 29400

5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-one

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 168.5
[M+Na]+ 327.14678 172.2
[M-H]- 303.15028 167.4
[M+NH4]+ 322.19138 188.6
[M+K]+ 343.12072 166.1
[M+H-H2O]+ 287.15482 154.8
[M+HCOO]- 349.15576 173.9
[M+CH3COO]- 363.17141 175.6
[M+Na-2H]- 325.13223 179.9
[M]+ 304.15701 167.5
[M]- 304.15811 167.5
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.