CID 3038590

41634-08-6

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
C1CC(C(=O)C(C1)N2CCOCC2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H20ClNO3/c18-13-6-4-12(5-7-13)16(20)14-2-1-3-15(17(14)21)19-8-10-22-11-9-19/h4-7,14-15H,1-3,8-11H2
InChIKey
MLXNRJNHBIGYSM-UHFFFAOYSA-N
Compound name
2-(4-chlorobenzoyl)-6-morpholin-4-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 174.8
[M+Na]+ 344.10238 178.9
[M-H]- 320.10588 182.1
[M+NH4]+ 339.14698 186.2
[M+K]+ 360.07632 175.2
[M+H-H2O]+ 304.11042 165.7
[M+HCOO]- 366.11136 183.9
[M+CH3COO]- 380.12701 204.5
[M+Na-2H]- 342.08783 174.5
[M]+ 321.11261 170.4
[M]- 321.11371 170.4
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.