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]+ 425.207106 200.3
[M+Na]+ 447.189048 204.1
[M-H]- 423.192554 199.2
[M+NH4]+ 442.233653 216.0
[M+K]+ 463.162988 201.1
[M+H-H2O]+ 407.197090 186.7
[M+HCOO]- 469.198031 203.9
[M+CH3COO]- 483.213681 205.9
[M+Na-2H]- 445.174496 208.4
[M]+ 424.19928142 207.5
[M]- 424.20037858 207.5
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.