CID 211070

22179-48-2

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C16H23NO2/c1-4-6-14(7-5-2)16(19)17-15-10-8-13(9-11-15)12(3)18/h8-11,14H,4-7H2,1-3H3,(H,17,19)
InChIKey
PBMAMEVDIRQQJN-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 165.0
[M+Na]+ 284.162098 169.3
[M-H]- 260.165604 167.8
[M+NH4]+ 279.206703 181.3
[M+K]+ 300.136038 166.9
[M+H-H2O]+ 244.170140 158.0
[M+HCOO]- 306.171081 186.1
[M+CH3COO]- 320.186731 202.7
[M+Na-2H]- 282.147546 165.3
[M]+ 261.17233142 166.6
[M]- 261.17342858 166.6
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.