CID 551798

Diethylpropion-n-desethyl, acetate

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCN(C(C)C(=O)C1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C13H17NO2/c1-4-14(11(3)15)10(2)13(16)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKey
SJOBLXJSZYBHQE-UHFFFAOYSA-N
Compound name
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 151.1
[M+Na]+ 242.115148 155.9
[M-H]- 218.118654 155.7
[M+NH4]+ 237.159753 169.5
[M+K]+ 258.089088 155.7
[M+H-H2O]+ 202.123190 144.3
[M+HCOO]- 264.124131 173.7
[M+CH3COO]- 278.139781 196.0
[M+Na-2H]- 240.100596 153.0
[M]+ 219.12538142 152.5
[M]- 219.12647858 152.5
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.