CID 2799217

N-(2-hexanoyl-4,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCCCC(=O)C1=C(C=C(C(=C1)C)C)NC(=O)C
InChI
InChI=1S/C16H23NO2/c1-5-6-7-8-16(19)14-9-11(2)12(3)10-15(14)17-13(4)18/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKey
WIFQUPAMUDHOHH-UHFFFAOYSA-N
Compound name
N-(2-hexanoyl-4,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

261.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.2
[M+Na]+ 284.162098 169.7
[M-H]- 260.165604 166.8
[M+NH4]+ 279.206703 180.3
[M+K]+ 300.136038 166.9
[M+H-H2O]+ 244.170140 156.7
[M+HCOO]- 306.171081 185.3
[M+CH3COO]- 320.186731 204.2
[M+Na-2H]- 282.147546 163.5
[M]+ 261.17233142 166.3
[M]- 261.17342858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.