CID 3052597

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

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C24H30N2O3/c1-3-23(27)26(22-12-8-7-11-21(22)24(28)29-2)20-14-17-25(18-15-20)16-13-19-9-5-4-6-10-19/h4-12,20H,3,13-18H2,1-2H3
InChIKey
FOVZSBBNRBANEA-UHFFFAOYSA-N
Compound name
methyl 2-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.23293 197.7
[M+Na]+ 417.21487 209.1
[M+NH4]+ 412.25947 204.1
[M+K]+ 433.18881 201.9
[M-H]- 393.21837 203.2
[M+Na-2H]- 415.20032 205.2
[M]+ 394.22510 200.7
[M]- 394.22620 200.7
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.