CID 3052599

Anthranilic acid, n-(1-phenethyl-4-piperidyl)-n-propionyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3C(=O)OCC
InChI
InChI=1S/C25H32N2O3/c1-3-24(28)27(23-13-9-8-12-22(23)25(29)30-4-2)21-15-18-26(19-16-21)17-14-20-10-6-5-7-11-20/h5-13,21H,3-4,14-19H2,1-2H3
InChIKey
QLOOUJIKXRRIDK-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2413 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 202.5
[M+Na]+ 431.23052 203.2
[M-H]- 407.23402 209.9
[M+NH4]+ 426.27512 210.8
[M+K]+ 447.20446 199.7
[M+H-H2O]+ 391.23856 190.8
[M+HCOO]- 453.23950 219.1
[M+CH3COO]- 467.25515 229.8
[M+Na-2H]- 429.21597 200.3
[M]+ 408.24075 201.5
[M]- 408.24185 201.5
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.