CID 57354610

Pmcmlidoejiymj-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₂H₄₀N₂O₇

SMILES

CCCCOCN(COCCOCCOCN(COCCCC)C(=O)C=C)C(=O)C=C

InChI

InChI=1S/C22H40N2O7/c1-5-9-11-28-17-23(21(25)7-3)19-30-15-13-27-14-16-31-20-24(22(26)8-4)18-29-12-10-6-2/h7-8H,3-6,9-20H2,1-2H3

InChIKey

PMCMLIDOEJIYMJ-UHFFFAOYSA-N

Compound name

N-(butoxymethyl)-N-[2-[2-[[butoxymethyl(prop-2-enoyl)amino]methoxy]ethoxy]ethoxymethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 444.28354 Da
Monoisotopic Mass: 2.6
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]+	445.290816	226.0
[M+Na]+	467.272758	238.4
[M-H]-	443.276264	226.9
[M+NH4]+	462.317363	237.0
[M+K]+	483.246698	231.7
[M+H-H2O]+	427.280800	230.2
[M+HCOO]-	489.281741	233.3
[M+CH3COO]-	503.297391	242.0
[M+Na-2H]-	465.258206	217.4
[M]+	444.28299142	225.3
[M]-	444.28408858	225.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.