CID 57335

P-(2-piperidinopropionamido)benzoic acid ethyl ester

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]+ 305.18596 173.5
[M+Na]+ 327.16790 175.4
[M-H]- 303.17140 177.2
[M+NH4]+ 322.21250 185.9
[M+K]+ 343.14184 173.3
[M+H-H2O]+ 287.17594 164.4
[M+HCOO]- 349.17688 190.3
[M+CH3COO]- 363.19253 206.6
[M+Na-2H]- 325.15335 173.3
[M]+ 304.17813 170.4
[M]- 304.17923 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.