CID 20180

4208-23-5

Structural Information

Molecular Formula
C25H32N2O3
SMILES
COCCN1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)CCOC)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O3/c1-29-15-13-26-17-24(21-9-5-3-6-10-21)19-27(14-16-30-2)20-25(18-26,23(24)28)22-11-7-4-8-12-22/h3-12H,13-20H2,1-2H3
InChIKey
PRSDQECHDQYLMW-UHFFFAOYSA-N
Compound name
3,7-bis(2-methoxyethyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 203.8
[M+Na]+ 431.23052 217.1
[M+NH4]+ 426.27512 214.0
[M+K]+ 447.20446 203.8
[M-H]- 407.23402 208.3
[M+Na-2H]- 429.21597 212.3
[M]+ 408.24075 207.3
[M]- 408.24185 207.3
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.