CID 91828

56381-65-8

Structural Information

Molecular Formula
C26H45NO6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCCOCCOC(=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(28)27-20-21-32-22-23-33-26(31)19-18-25(29)30/h9-10,18-19H,2-8,11-17,20-23H2,1H3,(H,27,28)(H,29,30)
InChIKey
KFEBJZRLAXVSGZ-UHFFFAOYSA-N
Compound name
4-[2-[2-(octadec-9-enoylamino)ethoxy]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

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.33196 225.6
[M+Na]+ 490.31390 234.0
[M-H]- 466.31740 220.3
[M+NH4]+ 485.35850 228.5
[M+K]+ 506.28784 229.0
[M+H-H2O]+ 450.32194 226.0
[M+HCOO]- 512.32288 231.6
[M+CH3COO]- 526.33853 236.6
[M+Na-2H]- 488.29935 213.8
[M]+ 467.32413 222.6
[M]- 467.32523 222.6
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.