CID 49770709

N-(1-benzyl-2-oxo-propyl)-2,4-dimethyl-pentanamide

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(C)CC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C17H25NO2/c1-12(2)10-13(3)17(20)18-16(14(4)19)11-15-8-6-5-7-9-15/h5-9,12-13,16H,10-11H2,1-4H3,(H,18,20)
InChIKey
SSINLMZUPSDKIN-UHFFFAOYSA-N
Compound name
2,4-dimethyl-N-(3-oxo-1-phenylbutan-2-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 170.3
[M+Na]+ 298.177758 172.7
[M-H]- 274.181264 172.7
[M+NH4]+ 293.222363 185.6
[M+K]+ 314.151698 171.2
[M+H-H2O]+ 258.185800 163.1
[M+HCOO]- 320.186741 189.0
[M+CH3COO]- 334.202391 206.3
[M+Na-2H]- 296.163206 168.2
[M]+ 275.18799142 170.6
[M]- 275.18908858 170.6
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.