CID 3068190

83130-79-4

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCOC1=C(C=CC=C1OC)C(=O)NC2CC3CCCC(C2)N3CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O3/c1-3-30-24-22(13-8-14-23(24)29-2)25(28)26-19-15-20-11-7-12-21(16-19)27(20)17-18-9-5-4-6-10-18/h4-6,8-10,13-14,19-21H,3,7,11-12,15-17H2,1-2H3,(H,26,28)
InChIKey
XJXBCQZDKRILSK-UHFFFAOYSA-N
Compound name
N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-ethoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.248576 200.7
[M+Na]+ 431.230518 202.4
[M-H]- 407.234024 206.2
[M+NH4]+ 426.275123 210.2
[M+K]+ 447.204458 197.5
[M+H-H2O]+ 391.238560 189.3
[M+HCOO]- 453.239501 214.0
[M+CH3COO]- 467.255151 229.3
[M+Na-2H]- 429.215966 201.0
[M]+ 408.24075142 198.3
[M]- 408.24184858 198.3
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.