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]+ 409.248576 203.4
[M+Na]+ 431.230518 207.6
[M-H]- 407.234024 207.9
[M+NH4]+ 426.275123 215.7
[M+K]+ 447.204458 202.4
[M+H-H2O]+ 391.238560 190.6
[M+HCOO]- 453.239501 215.4
[M+CH3COO]- 467.255151 210.3
[M+Na-2H]- 429.215966 206.7
[M]+ 408.24075142 203.0
[M]- 408.24184858 203.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.