CID 35942

31823-18-4

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H22N2O3/c1-22-13-5-12-20(14-22,18(23)15-6-3-2-4-7-15)25-19(24)16-8-10-17(21)11-9-16/h2-4,6-11H,5,12-14,21H2,1H3
InChIKey
BCTOFEMGAOJNQO-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-methylpiperidin-3-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]+ 339.170336 181.6
[M+Na]+ 361.152278 185.5
[M-H]- 337.155784 188.5
[M+NH4]+ 356.196883 194.0
[M+K]+ 377.126218 181.8
[M+H-H2O]+ 321.160320 171.7
[M+HCOO]- 383.161261 198.9
[M+CH3COO]- 397.176911 211.6
[M+Na-2H]- 359.137726 182.8
[M]+ 338.16251142 177.2
[M]- 338.16360858 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.