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 168.6
[M+Na]+ 310.14135 180.5
[M+NH4]+ 305.18595 176.3
[M+K]+ 326.11529 174.0
[M-H]- 286.14485 174.7
[M+Na-2H]- 308.12680 175.0
[M]+ 287.15158 171.8
[M]- 287.15268 171.8
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.