CID 51290

Benzoic acid, 4-amino-2-chloro-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CN1CCC(CC1)(C(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)N)Cl
InChI
InChI=1S/C20H21ClN2O3/c1-23-11-9-20(10-12-23,18(24)14-5-3-2-4-6-14)26-19(25)16-8-7-15(22)13-17(16)21/h2-8,13H,9-12,22H2,1H3
InChIKey
JSGYSAYTCMWPQV-UHFFFAOYSA-N
Compound name
(4-benzoyl-1-methylpiperidin-4-yl) 4-amino-2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 186.3
[M+Na]+ 395.11330 199.4
[M+NH4]+ 390.15790 194.6
[M+K]+ 411.08724 190.4
[M-H]- 371.11680 191.5
[M+Na-2H]- 393.09875 195.4
[M]+ 372.12353 190.0
[M]- 372.12463 190.0
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.