CID 2621514

Acetamide, 2-(4-acetylphenoxy)-n-cycloheptyl-

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(=O)C1=CC=C(C=C1)OCC(=O)NC2CCCCC2
InChI
InChI=1S/C16H21NO3/c1-12(18)13-7-9-15(10-8-13)20-11-16(19)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H,17,19)
InChIKey
ODJQAYIYMQYECH-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 164.7
[M+Na]+ 298.141348 167.2
[M-H]- 274.144854 169.9
[M+NH4]+ 293.185953 179.6
[M+K]+ 314.115288 165.0
[M+H-H2O]+ 258.149390 156.6
[M+HCOO]- 320.150331 184.1
[M+CH3COO]- 334.165981 200.7
[M+Na-2H]- 296.126796 166.0
[M]+ 275.15158142 161.4
[M]- 275.15267858 161.4
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.