CID 3015603

Einecs 250-877-0

Structural Information

Molecular Formula

C₂₃H₄₇NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CO)CO

InChI

InChI=1S/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-23(4-2,20-25)21-26/h25-26H,3-21H2,1-2H3,(H,24,27)

InChIKey

CJKRJNJNOZRVKU-UHFFFAOYSA-N

Compound name

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]octadecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 385.3556 Da
Monoisotopic Mass: 7.4
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]+	386.362876	207.5
[M+Na]+	408.344818	206.3
[M-H]-	384.348324	202.0
[M+NH4]+	403.389423	208.9
[M+K]+	424.318758	201.8
[M+H-H2O]+	368.352860	200.2
[M+HCOO]-	430.353801	221.0
[M+CH3COO]-	444.369451	223.4
[M+Na-2H]-	406.330266	204.6
[M]+	385.35505142	213.0
[M]-	385.35614858	213.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe