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]+ 305.164836 168.5
[M+Na]+ 327.146778 172.2
[M-H]- 303.150284 167.4
[M+NH4]+ 322.191383 188.6
[M+K]+ 343.120718 166.1
[M+H-H2O]+ 287.154820 154.8
[M+HCOO]- 349.155761 173.9
[M+CH3COO]- 363.171411 175.6
[M+Na-2H]- 325.132226 179.9
[M]+ 304.15701142 167.5
[M]- 304.15810858 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.