CID 24208969

Ethyl (2,3-dimethyl(propionyl)anilino)acetate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCC(=O)N(CC(=O)OCC)C1=CC=CC(=C1C)C
InChI
InChI=1S/C15H21NO3/c1-5-14(17)16(10-15(18)19-6-2)13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3
InChIKey
ADVHLBLVNCYUTB-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dimethyl-N-propanoylanilino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.0
[M+Na]+ 286.141348 168.1
[M-H]- 262.144854 166.9
[M+NH4]+ 281.185953 179.4
[M+K]+ 302.115288 167.6
[M+H-H2O]+ 246.149390 155.1
[M+HCOO]- 308.150331 185.2
[M+CH3COO]- 322.165981 204.8
[M+Na-2H]- 284.126796 162.8
[M]+ 263.15158142 166.9
[M]- 263.15267858 166.9
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.