CID 4425203

N-1-azabicyclo(2.2.2)oct-3-yl-3-methoxybenzamide ethanedioate (1:1)

Structural Information

Molecular Formula
C15H20N2O2
SMILES
COC1=CC=CC(=C1)C(=O)NC2CN3CCC2CC3
InChI
InChI=1S/C15H20N2O2/c1-19-13-4-2-3-12(9-13)15(18)16-14-10-17-7-5-11(14)6-8-17/h2-4,9,11,14H,5-8,10H2,1H3,(H,16,18)
InChIKey
CIXGCVPOLZPZNG-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.15247 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 156.3
[M+Na]+ 283.14169 158.8
[M-H]- 259.14519 154.2
[M+NH4]+ 278.18629 175.4
[M+K]+ 299.11563 156.2
[M+H-H2O]+ 243.14973 149.0
[M+HCOO]- 305.15067 167.1
[M+CH3COO]- 319.16632 165.0
[M+Na-2H]- 281.12714 165.9
[M]+ 260.15192 156.6
[M]- 260.15302 156.6
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

patents stripe