CID 4425203

Benzamide, n-1-azabicyclo(2.2.2)oct-3-yl-3-methoxy-, 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

12
Patents

260.15247 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 156.3
[M+Na]+ 283.141688 158.8
[M-H]- 259.145194 154.2
[M+NH4]+ 278.186293 175.4
[M+K]+ 299.115628 156.2
[M+H-H2O]+ 243.149730 149.0
[M+HCOO]- 305.150671 167.1
[M+CH3COO]- 319.166321 165.0
[M+Na-2H]- 281.127136 165.9
[M]+ 260.15192142 156.6
[M]- 260.15301858 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