CID 3052601

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

Structural Information

Molecular Formula
C26H34N2O3
SMILES
CCCOC(=O)C1=CC=CC=C1N(C2CCN(CC2)CCC3=CC=CC=C3)C(=O)CC
InChI
InChI=1S/C26H34N2O3/c1-3-20-31-26(30)23-12-8-9-13-24(23)28(25(29)4-2)22-15-18-27(19-16-22)17-14-21-10-6-5-7-11-21/h5-13,22H,3-4,14-20H2,1-2H3
InChIKey
SWUIYJKKLKCELK-UHFFFAOYSA-N
Compound name
propyl 2-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.25696 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.26424 206.5
[M+Na]+ 445.24618 217.5
[M+NH4]+ 440.29078 212.5
[M+K]+ 461.22012 209.8
[M-H]- 421.24968 211.9
[M+Na-2H]- 443.23163 213.4
[M]+ 422.25641 209.4
[M]- 422.25751 209.4
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.