CID 3038588

41634-07-5

Structural Information

Molecular Formula
C17H21NO3
SMILES
C1CC(C(=O)C(C1)N2CCOCC2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21NO3/c19-16(13-5-2-1-3-6-13)14-7-4-8-15(17(14)20)18-9-11-21-12-10-18/h1-3,5-6,14-15H,4,7-12H2
InChIKey
ATWZDAJCULDYFI-UHFFFAOYSA-N
Compound name
2-benzoyl-6-morpholin-4-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.8
[M+Na]+ 310.14135 170.2
[M-H]- 286.14485 174.9
[M+NH4]+ 305.18595 179.3
[M+K]+ 326.11529 168.0
[M+H-H2O]+ 270.14939 158.0
[M+HCOO]- 332.15033 181.5
[M+CH3COO]- 346.16598 199.7
[M+Na-2H]- 308.12680 168.7
[M]+ 287.15158 160.7
[M]- 287.15268 160.7
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.