CID 211071

N-(4-propanoylphenyl)-2-propylpentanamide

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)C(=O)CC
InChI
InChI=1S/C17H25NO2/c1-4-7-14(8-5-2)17(20)18-15-11-9-13(10-12-15)16(19)6-3/h9-12,14H,4-8H2,1-3H3,(H,18,20)
InChIKey
FBICRAIQQLWRBS-UHFFFAOYSA-N
Compound name
N-(4-propanoylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 169.6
[M+Na]+ 298.177758 173.5
[M-H]- 274.181264 172.3
[M+NH4]+ 293.222363 185.4
[M+K]+ 314.151698 170.9
[M+H-H2O]+ 258.185800 162.4
[M+HCOO]- 320.186741 190.4
[M+CH3COO]- 334.202391 205.7
[M+Na-2H]- 296.163206 169.4
[M]+ 275.18799142 171.6
[M]- 275.18908858 171.6
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.