CID 50382

Brn 0904703

Structural Information

Molecular Formula
C24H28N2O5
SMILES
COC1=C(C=C(C=C1)C23CN4CC(C2=O)(CN(C3)C4)C5=CC(=C(C=C5)OC)OC)OC
InChI
InChI=1S/C24H28N2O5/c1-28-18-7-5-16(9-20(18)30-3)23-11-25-13-24(22(23)27,14-26(12-23)15-25)17-6-8-19(29-2)21(10-17)31-4/h5-10H,11-15H2,1-4H3
InChIKey
WVAKPGIBSASGOB-UHFFFAOYSA-N
Compound name
5,7-bis(3,4-dimethoxyphenyl)-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

424.19983 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 201.5
[M+Na]+ 447.18905 214.3
[M+NH4]+ 442.23365 212.9
[M+K]+ 463.16299 202.2
[M-H]- 423.19255 202.1
[M+Na-2H]- 445.17450 202.2
[M]+ 424.19928 203.9
[M]- 424.20038 203.9
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.