CID 3038592

41634-09-7

Structural Information

Molecular Formula
C18H23NO4
SMILES
COC1=CC=C(C=C1)C(=O)C2CCCC(C2=O)N3CCOCC3
InChI
InChI=1S/C18H23NO4/c1-22-14-7-5-13(6-8-14)17(20)15-3-2-4-16(18(15)21)19-9-11-23-12-10-19/h5-8,15-16H,2-4,9-12H2,1H3
InChIKey
NSSWIDVCXCRJIZ-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-6-morpholin-4-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 175.1
[M+Na]+ 340.151938 177.8
[M-H]- 316.155444 182.4
[M+NH4]+ 335.196543 185.6
[M+K]+ 356.125878 176.1
[M+H-H2O]+ 300.159980 165.2
[M+HCOO]- 362.160921 188.6
[M+CH3COO]- 376.176571 206.1
[M+Na-2H]- 338.137386 174.9
[M]+ 317.16217142 170.2
[M]- 317.16326858 170.2
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.