CID 73557047

95706-86-8

Structural Information

Molecular Formula
C30H59NO7
SMILES
CCCCCCCCCCCCCCCCCC1=NC(CO1)(COCCOCCO)COCCOCCO
InChI
InChI=1S/C30H59NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-31-30(28-38-29,26-36-24-22-34-20-18-32)27-37-25-23-35-21-19-33/h32-33H,2-28H2,1H3
InChIKey
ONXIYEJWBAUSGD-UHFFFAOYSA-N
Compound name
2-[2-[[2-heptadecyl-4-[2-(2-hydroxyethoxy)ethoxymethyl]-5H-1,3-oxazol-4-yl]methoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

545.42914 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.43642 238.9
[M+Na]+ 568.41836 236.0
[M-H]- 544.42186 234.6
[M+NH4]+ 563.46296 239.1
[M+K]+ 584.39230 233.1
[M+H-H2O]+ 528.42640 229.4
[M+HCOO]- 590.42734 255.9
[M+CH3COO]- 604.44299 245.3
[M+Na-2H]- 566.40381 234.9
[M]+ 545.42859 253.7
[M]- 545.42969 253.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.