CID 41097

Iss 5041

Structural Information

Molecular Formula

C₂₂H₄₂N₂O₄

SMILES

CCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCC

InChI

InChI=1S/C22H42N2O4/c1-3-5-7-9-11-21(25)27-19-17-23-13-15-24(16-14-23)18-20-28-22(26)12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

OLGWOXZPPNKIFB-UHFFFAOYSA-N

Compound name

2-[4-(2-heptanoyloxyethyl)piperazin-1-yl]ethyl heptanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 398.31445 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]+	399.321726	205.1
[M+Na]+	421.303668	204.7
[M-H]-	397.307174	202.6
[M+NH4]+	416.348273	213.1
[M+K]+	437.277608	202.0
[M+H-H2O]+	381.311710	195.0
[M+HCOO]-	443.312651	217.6
[M+CH3COO]-	457.328301	224.3
[M+Na-2H]-	419.289116	200.7
[M]+	398.31390142	209.8
[M]-	398.31499858	209.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.