CID 6437142

Einecs 267-206-2

Structural Information

Molecular Formula
C26H47NO6
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)/C=C/C(=O)O
InChI
InChI=1S/C26H47NO6/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/h18-19,28H,2-17,20-23H2,1H3,(H,30,31)/b19-18+
InChIKey
ADLXKXIDPBSDJR-VHEBQXMUSA-N
Compound name
(E)-4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.34033 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.34761 226.9
[M+Na]+ 492.32955 235.2
[M-H]- 468.33305 222.4
[M+NH4]+ 487.37415 231.1
[M+K]+ 508.30349 231.3
[M+H-H2O]+ 452.33759 227.9
[M+HCOO]- 514.33853 229.8
[M+CH3COO]- 528.35418 238.7
[M+Na-2H]- 490.31500 215.3
[M]+ 469.33978 224.2
[M]- 469.34088 224.2
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.