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]+ 264.15941 162.0
[M+Na]+ 286.14135 168.1
[M-H]- 262.14485 166.9
[M+NH4]+ 281.18595 179.4
[M+K]+ 302.11529 167.6
[M+H-H2O]+ 246.14939 155.1
[M+HCOO]- 308.15033 185.2
[M+CH3COO]- 322.16598 204.8
[M+Na-2H]- 284.12680 162.8
[M]+ 263.15158 166.9
[M]- 263.15268 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.