CID 13848204

93918-47-9

Structural Information

Molecular Formula
C40H73N3O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCNCCNC(=O)CCCCCCC/C=C/C/C=C/CCCCC
InChI
InChI=1S/C40H73N3O2/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/h11-14,17-20,41H,3-10,15-16,21-38H2,1-2H3,(H,42,44)(H,43,45)/b13-11+,14-12+,19-17+,20-18+
InChIKey
IGJRJHXMSKJRMQ-WVZYQCMWSA-N
Compound name
(9E,12E)-N-[2-[2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]ethylamino]ethyl]octadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.57025 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.57753 282.0
[M+Na]+ 650.55947 292.9
[M-H]- 626.56297 273.0
[M+NH4]+ 645.60407 280.4
[M+K]+ 666.53341 291.0
[M+H-H2O]+ 610.56751 278.4
[M+HCOO]- 672.56845 283.0
[M+CH3COO]- 686.58410 279.0
[M+Na-2H]- 648.54492 264.5
[M]+ 627.56970 273.7
[M]- 627.57080 273.7
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.