CID 50383

Brn 0856754

Structural Information

Molecular Formula
C22H24N2O3
SMILES
COC1=CC=CC(=C1)C23CN4CC(C2=O)(CN(C3)C4)C5=CC(=CC=C5)OC
InChI
InChI=1S/C22H24N2O3/c1-26-18-7-3-5-16(9-18)21-11-23-13-22(20(21)25,14-24(12-21)15-23)17-6-4-8-19(10-17)27-2/h3-10H,11-15H2,1-2H3
InChIKey
XEQFNZPAYZGSMD-UHFFFAOYSA-N
Compound name
5,7-bis(3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.1
[M+Na]+ 387.16790 201.7
[M+NH4]+ 382.21250 200.9
[M+K]+ 403.14184 188.5
[M-H]- 363.17140 189.6
[M+Na-2H]- 385.15335 190.4
[M]+ 364.17813 190.9
[M]- 364.17923 190.9
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.