CID 3300

Ethyl piperidinoacetylaminobenzoate

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCC2
InChI
InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
InChIKey
QLGIFPJNYPWBMQ-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

226
Patents

290.16306 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.6
[M+Na]+ 313.15228 179.2
[M+NH4]+ 308.19688 175.8
[M+K]+ 329.12622 173.5
[M-H]- 289.15578 172.0
[M+Na-2H]- 311.13773 174.8
[M]+ 290.16251 171.2
[M]- 290.16361 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe