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]+ 395.232926 198.1
[M+Na]+ 417.214868 199.2
[M-H]- 393.218374 205.7
[M+NH4]+ 412.259473 206.9
[M+K]+ 433.188808 196.0
[M+H-H2O]+ 377.222910 186.6
[M+HCOO]- 439.223851 215.1
[M+CH3COO]- 453.239501 226.9
[M+Na-2H]- 415.200316 196.4
[M]+ 394.22510142 196.7
[M]- 394.22619858 196.7
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.