CID 57335

98067-30-2

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)N2CCCCC2
InChI
InChI=1S/C17H24N2O3/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKey
KMLSSEPKCRGQIX-UHFFFAOYSA-N
Compound name
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.5
[M+Na]+ 327.167898 175.4
[M-H]- 303.171404 177.2
[M+NH4]+ 322.212503 185.9
[M+K]+ 343.141838 173.3
[M+H-H2O]+ 287.175940 164.4
[M+HCOO]- 349.176881 190.3
[M+CH3COO]- 363.192531 206.6
[M+Na-2H]- 325.153346 173.3
[M]+ 304.17813142 170.4
[M]- 304.17922858 170.4
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.