CID 106241

67953-29-1

Structural Information

Molecular Formula
C26H45NO6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)C=CC(=O)O
InChI
InChI=1S/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(20-22-28)21-23-33-26(32)19-18-25(30)31/h9-10,18-19,28H,2-8,11-17,20-23H2,1H3,(H,30,31)
InChIKey
BVJOSFJMHVEALH-UHFFFAOYSA-N
Compound name
4-[2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.32468 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.33196 226.9
[M+Na]+ 490.31390 231.6
[M+NH4]+ 485.35850 229.7
[M+K]+ 506.28784 229.0
[M-H]- 466.31740 221.7
[M+Na-2H]- 488.29935 231.0
[M]+ 467.32413 226.2
[M]- 467.32523 226.2
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.