CID 57356482

Jfljamgxrvxfew-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₄H₄₂N₂O₆

SMILES

CCCCCCCCCC=CCC(CC1=NC(CO1)(CO)CO)C2=NC(CO2)(CO)CO

InChI

InChI=1S/C24H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-20(22-26-24(16-29,17-30)19-32-22)13-21-25-23(14-27,15-28)18-31-21/h10-11,20,27-30H,2-9,12-19H2,1H3

InChIKey

JFLJAMGXRVXFEW-UHFFFAOYSA-N

Compound name

[2-[2-[4,4-bis(hydroxymethyl)-5H-1,3-oxazol-2-yl]tetradec-4-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 454.3043 Da
Monoisotopic Mass: 1.8
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]+	455.311576	210.7
[M+Na]+	477.293518	211.8
[M-H]-	453.297024	209.0
[M+NH4]+	472.338123	218.6
[M+K]+	493.267458	209.1
[M+H-H2O]+	437.301560	204.3
[M+HCOO]-	499.302501	220.2
[M+CH3COO]-	513.318151	221.7
[M+Na-2H]-	475.278966	207.8
[M]+	454.30375142	215.6
[M]-	454.30484858	215.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.