CID 107087

Dtxsid901015043

Structural Information

Molecular Formula
C40H81N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNC(C)NC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H81N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(44)42-37-36-41-38(3)43-40(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38,41H,4-37H2,1-3H3,(H,42,44)(H,43,45)
InChIKey
OXEXFIWWSRYTNM-UHFFFAOYSA-N
Compound name
N-[2-[1-(octadecanoylamino)ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

635.6329 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.64018 289.8
[M+Na]+ 658.62212 298.8
[M-H]- 634.62562 279.1
[M+NH4]+ 653.66672 288.5
[M+K]+ 674.59606 299.2
[M+H-H2O]+ 618.63016 286.6
[M+HCOO]- 680.63110 285.0
[M+CH3COO]- 694.64675 284.5
[M+Na-2H]- 656.60757 270.9
[M]+ 635.63235 282.4
[M]- 635.63345 282.4
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

No patent data available for this compound.