CID 51182

7-butyl-3-(p-methoxybenzoyl)bispidine fumarate(4:5)

Structural Information

Molecular Formula
C19H28N2O2
SMILES
CCCCN1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H28N2O2/c1-3-4-9-20-11-15-10-16(12-20)14-21(13-15)19(22)17-5-7-18(23-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKey
NOYUOGAJPZJXEE-UHFFFAOYSA-N
Compound name
(7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 179.2
[M+Na]+ 339.20432 190.8
[M+NH4]+ 334.24892 186.9
[M+K]+ 355.17826 183.0
[M-H]- 315.20782 181.5
[M+Na-2H]- 337.18977 182.4
[M]+ 316.21455 181.3
[M]- 316.21565 181.3
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.

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No patent data available for this compound.