CID 109655

Einecs 268-968-9

Structural Information

Molecular Formula
C40H81N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H81N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-36-38-43(37-35-41)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38,41H2,1-2H3,(H,42,44)
InChIKey
SMLNXMNSNZBSKW-UHFFFAOYSA-N
Compound name
N-[2-[2-aminoethyl(octadecanoyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.6329 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.64018 286.4
[M+Na]+ 658.62212 296.3
[M-H]- 634.62562 275.7
[M+NH4]+ 653.66672 286.5
[M+K]+ 674.59606 296.4
[M+H-H2O]+ 618.63016 284.0
[M+HCOO]- 680.63110 282.7
[M+CH3COO]- 694.64675 286.3
[M+Na-2H]- 656.60757 268.3
[M]+ 635.63235 279.4
[M]- 635.63345 279.4
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

patents stripe