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]+ 409.24858 200.7
[M+Na]+ 431.23052 202.4
[M-H]- 407.23402 206.2
[M+NH4]+ 426.27512 210.2
[M+K]+ 447.20446 197.5
[M+H-H2O]+ 391.23856 189.3
[M+HCOO]- 453.23950 214.0
[M+CH3COO]- 467.25515 229.3
[M+Na-2H]- 429.21597 201.0
[M]+ 408.24075 198.3
[M]- 408.24185 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.