CID 208688

32808-74-5

Structural Information

Molecular Formula
C20H28ClNO2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CCCC(=O)N3CCOCC3)Cl
InChI
InChI=1S/C20H28ClNO2/c21-19-15-16(9-10-18(19)17-6-2-1-3-7-17)5-4-8-20(23)22-11-13-24-14-12-22/h9-10,15,17H,1-8,11-14H2
InChIKey
GCECPNQPPJYYOR-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-cyclohexylphenyl)-1-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

349.18085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18813 186.8
[M+Na]+ 372.17007 188.5
[M-H]- 348.17357 193.0
[M+NH4]+ 367.21467 197.0
[M+K]+ 388.14401 184.0
[M+H-H2O]+ 332.17811 176.9
[M+HCOO]- 394.17905 194.5
[M+CH3COO]- 408.19470 210.1
[M+Na-2H]- 370.15552 185.4
[M]+ 349.18030 182.1
[M]- 349.18140 182.1
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.