CID 3038586

41634-06-4

Structural Information

Molecular Formula
C19H25NO3
SMILES
COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCCCC3
InChI
InChI=1S/C19H25NO3/c1-23-15-10-8-14(9-11-15)18(21)16-6-5-7-17(19(16)22)20-12-3-2-4-13-20/h8-11,16-17H,2-7,12-13H2,1H3
InChIKey
AZAUHOKZOMQMIB-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-6-piperidin-1-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.2
[M+Na]+ 338.17266 178.4
[M-H]- 314.17616 182.6
[M+NH4]+ 333.21726 188.2
[M+K]+ 354.14660 174.9
[M+H-H2O]+ 298.18070 166.2
[M+HCOO]- 360.18164 190.1
[M+CH3COO]- 374.19729 206.7
[M+Na-2H]- 336.15811 174.7
[M]+ 315.18289 169.6
[M]- 315.18399 169.6
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

No patent data available for this compound.