CID 201665

Brn 2143973

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C)OCC=C
InChI
InChI=1S/C16H22N2O3/c1-5-10-21-15-9-8-13(17-12(4)19)11-14(15)16(20)18(6-2)7-3/h5,8-9,11H,1,6-7,10H2,2-4H3,(H,17,19)
InChIKey
POKUFECDXADOTJ-UHFFFAOYSA-N
Compound name
5-acetamido-N,N-diethyl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.170336 170.1
[M+Na]+ 313.152278 175.0
[M-H]- 289.155784 174.7
[M+NH4]+ 308.196883 185.8
[M+K]+ 329.126218 173.7
[M+H-H2O]+ 273.160320 162.4
[M+HCOO]- 335.161261 194.1
[M+CH3COO]- 349.176911 212.1
[M+Na-2H]- 311.137726 170.5
[M]+ 290.16251142 173.8
[M]- 290.16360858 173.8
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.