CID 74934035

Ns00062835

Structural Information

Molecular Formula

C₂₃H₄₂N₂O₄

SMILES

CCCCCCCCCCCC=C(CC(=O)NCCCN1CCOCC1)C(=O)O

InChI

InChI=1S/C23H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-13-21(23(27)28)20-22(26)24-14-12-15-25-16-18-29-19-17-25/h13H,2-12,14-20H2,1H3,(H,24,26)(H,27,28)

InChIKey

SAGVLPFLVUHFKM-UHFFFAOYSA-N

Compound name

2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]tetradec-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 410.31445 Da
Monoisotopic Mass: 2.9
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]+	411.321726	210.2
[M+Na]+	433.303668	207.2
[M-H]-	409.307174	207.8
[M+NH4]+	428.348273	216.2
[M+K]+	449.277608	204.3
[M+H-H2O]+	393.311710	200.5
[M+HCOO]-	455.312651	221.4
[M+CH3COO]-	469.328301	226.4
[M+Na-2H]-	431.289116	205.4
[M]+	410.31390142	210.9
[M]-	410.31499858	210.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.