CID 3086335

91793-42-9

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCNC(C)C(=O)NC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C15H24N2O/c1-5-11-16-12(2)14(18)17-15(3,4)13-9-7-6-8-10-13/h6-10,12,16H,5,11H2,1-4H3,(H,17,18)
InChIKey
BWXNGCOSXBVXCT-UHFFFAOYSA-N
Compound name
N-(2-phenylpropan-2-yl)-2-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 162.2
[M+Na]+ 271.178078 165.5
[M-H]- 247.181584 165.0
[M+NH4]+ 266.222683 178.7
[M+K]+ 287.152018 163.5
[M+H-H2O]+ 231.186120 155.3
[M+HCOO]- 293.187061 183.7
[M+CH3COO]- 307.202711 201.8
[M+Na-2H]- 269.163526 166.0
[M]+ 248.18831142 161.6
[M]- 248.18940858 161.6
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.