CID 6913465

68778-98-3

Structural Information

Molecular Formula
C26H45NO6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NC(CCO)COC(=O)/C=C\C(=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)27-23(20-21-28)22-33-26(32)19-18-25(30)31/h9-10,18-19,23,28H,2-8,11-17,20-22H2,1H3,(H,27,29)(H,30,31)/b10-9-,19-18-
InChIKey
NFARNZJBVJZSGZ-DEXHTJMYSA-N
Compound name
(Z)-4-[4-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.32468 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.33196 225.5
[M+Na]+ 490.31390 230.4
[M+NH4]+ 485.35850 227.6
[M+K]+ 506.28784 227.6
[M-H]- 466.31740 220.6
[M+Na-2H]- 488.29935 229.6
[M]+ 467.32413 224.7
[M]- 467.32523 224.7
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.