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]+ 318.17000 175.1
[M+Na]+ 340.15194 177.8
[M-H]- 316.15544 182.4
[M+NH4]+ 335.19654 185.6
[M+K]+ 356.12588 176.1
[M+H-H2O]+ 300.15998 165.2
[M+HCOO]- 362.16092 188.6
[M+CH3COO]- 376.17657 206.1
[M+Na-2H]- 338.13739 174.9
[M]+ 317.16217 170.2
[M]- 317.16327 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.