CID 51190

3-(p-methoxybenzoyl)-7-methylbispidine fumarate

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CN1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H22N2O2/c1-17-8-12-7-13(9-17)11-18(10-12)16(19)14-3-5-15(20-2)6-4-14/h3-6,12-13H,7-11H2,1-2H3
InChIKey
KUDVDNKAYVOPGX-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.8
[M+Na]+ 297.15734 178.1
[M+NH4]+ 292.20194 174.0
[M+K]+ 313.13128 171.0
[M-H]- 273.16084 168.2
[M+Na-2H]- 295.14279 169.9
[M]+ 274.16757 168.1
[M]- 274.16867 168.1
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.