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]+ 276.15941 164.7
[M+Na]+ 298.14135 167.2
[M-H]- 274.14485 169.9
[M+NH4]+ 293.18595 179.6
[M+K]+ 314.11529 165.0
[M+H-H2O]+ 258.14939 156.6
[M+HCOO]- 320.15033 184.1
[M+CH3COO]- 334.16598 200.7
[M+Na-2H]- 296.12680 166.0
[M]+ 275.15158 161.4
[M]- 275.15268 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.