CID 23026

Brn 2136542

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C)OCC=C
InChI
InChI=1S/C15H20N2O3/c1-5-8-20-14-7-6-12(17-11(4)18)9-13(14)15(19)16-10(2)3/h5-7,9-10H,1,8H2,2-4H3,(H,16,19)(H,17,18)
InChIKey
BNUISLLXXCNASY-UHFFFAOYSA-N
Compound name
5-acetamido-N-propan-2-yl-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 165.9
[M+Na]+ 299.136618 170.9
[M-H]- 275.140124 169.3
[M+NH4]+ 294.181223 181.4
[M+K]+ 315.110558 168.9
[M+H-H2O]+ 259.144660 158.7
[M+HCOO]- 321.145601 188.7
[M+CH3COO]- 335.161251 206.6
[M+Na-2H]- 297.122066 166.4
[M]+ 276.14685142 167.3
[M]- 276.14794858 167.3
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.