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]+ 316.190716 176.2
[M+Na]+ 338.172658 178.4
[M-H]- 314.176164 182.6
[M+NH4]+ 333.217263 188.2
[M+K]+ 354.146598 174.9
[M+H-H2O]+ 298.180700 166.2
[M+HCOO]- 360.181641 190.1
[M+CH3COO]- 374.197291 206.7
[M+Na-2H]- 336.158106 174.7
[M]+ 315.18289142 169.6
[M]- 315.18398858 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.