CID 44151079

N,n'-(iminodi-2,1-ethanediyl)bis(9,12,15-octadecatrienamide)

Structural Information

Molecular Formula
C40H69N3O2
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC
InChI
InChI=1S/C40H69N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,41H,3-4,9-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45)/b7-5+,8-6+,13-11+,14-12+,19-17+,20-18+
InChIKey
BJGRDZKUGUAHRH-NWUVBWGCSA-N
Compound name
(9E,12E,15E)-N-[2-[2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]ethylamino]ethyl]octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.539 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.54628 277.7
[M+Na]+ 646.52822 289.9
[M-H]- 622.53172 270.4
[M+NH4]+ 641.57282 276.8
[M+K]+ 662.50216 287.0
[M+H-H2O]+ 606.53626 274.3
[M+HCOO]- 668.53720 280.5
[M+CH3COO]- 682.55285 276.5
[M+Na-2H]- 644.51367 261.3
[M]+ 623.53845 269.0
[M]- 623.53955 269.0
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.