CID 3054399

(4-((4-aminobenzoyl)oxy)-1-methyl-4-piperidinyl)phenylmethanone conjugate monoacid

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CN1CCC(CC1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H22N2O3/c1-22-13-11-20(12-14-22,18(23)15-5-3-2-4-6-15)25-19(24)16-7-9-17(21)10-8-16/h2-10H,11-14,21H2,1H3
InChIKey
LFHCPAZXWQTSOZ-UHFFFAOYSA-N
Compound name
(4-benzoyl-1-methylpiperidin-4-yl) 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.6
[M+Na]+ 361.15228 185.5
[M-H]- 337.15578 188.5
[M+NH4]+ 356.19688 194.0
[M+K]+ 377.12622 181.8
[M+H-H2O]+ 321.16032 171.7
[M+HCOO]- 383.16126 198.9
[M+CH3COO]- 397.17691 211.6
[M+Na-2H]- 359.13773 182.8
[M]+ 338.16251 177.2
[M]- 338.16361 177.2
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.