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

234
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 169.0
[M+Na]+ 313.15228 171.6
[M-H]- 289.15578 172.9
[M+NH4]+ 308.19688 182.1
[M+K]+ 329.12622 169.2
[M+H-H2O]+ 273.16032 159.9
[M+HCOO]- 335.16126 187.1
[M+CH3COO]- 349.17691 202.7
[M+Na-2H]- 311.13773 170.5
[M]+ 290.16251 166.1
[M]- 290.16361 166.1
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