CID 72756

14466-50-3

Structural Information

Molecular Formula

C₂₂H₄₃NO₃

SMILES

CCCCCCCCCCCCCCCCCC1=NC(CO1)(CO)CO

InChI

InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h24-25H,2-20H2,1H3

InChIKey

FFJWPXULECNYBC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 369.32428 Da
Monoisotopic Mass: 6.7
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]+	370.331556	198.3
[M+Na]+	392.313498	199.7
[M-H]-	368.317004	195.8
[M+NH4]+	387.358103	210.5
[M+K]+	408.287438	195.9
[M+H-H2O]+	352.321540	190.9
[M+HCOO]-	414.322481	213.1
[M+CH3COO]-	428.338131	214.6
[M+Na-2H]-	390.298946	197.0
[M]+	369.32373142	204.5
[M]-	369.32482858	204.5

Literature stripe

literature stripe

Patent stripe

patents stripe