CID 48916

67031-57-6

Structural Information

Molecular Formula

C₂₃H₂₇NO₃

SMILES

CC1CCCCN1CCCOC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c1-18-10-7-8-15-24(18)16-9-17-27-23(26)21-14-6-5-13-20(21)22(25)19-11-3-2-4-12-19/h2-6,11-14,18H,7-10,15-17H2,1H3

InChIKey

XCVUSAHNJBRHSC-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.1991 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	366.206376	190.4
[M+Na]+	388.188318	192.6
[M-H]-	364.191824	196.8
[M+NH4]+	383.232923	200.1
[M+K]+	404.162258	188.1
[M+H-H2O]+	348.196360	179.5
[M+HCOO]-	410.197301	206.1
[M+CH3COO]-	424.212951	216.3
[M+Na-2H]-	386.173766	189.3
[M]+	365.19855142	188.1
[M]-	365.19964858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.