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]+ 276.19582 170.3
[M+Na]+ 298.17776 172.7
[M-H]- 274.18126 172.7
[M+NH4]+ 293.22236 185.6
[M+K]+ 314.15170 171.2
[M+H-H2O]+ 258.18580 163.1
[M+HCOO]- 320.18674 189.0
[M+CH3COO]- 334.20239 206.3
[M+Na-2H]- 296.16321 168.2
[M]+ 275.18799 170.6
[M]- 275.18909 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.