CID 82465

10220-90-3

Structural Information

Molecular Formula
C40H81N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=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)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45)
InChIKey
XFRHMVNVCKLHSW-UHFFFAOYSA-N
Compound name
N-[2-[2-(octadecanoylamino)ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

635.6329 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.64018 291.7
[M+Na]+ 658.62212 300.2
[M-H]- 634.62562 279.4
[M+NH4]+ 653.66672 288.8
[M+K]+ 674.59606 300.1
[M+H-H2O]+ 618.63016 287.9
[M+HCOO]- 680.63110 289.2
[M+CH3COO]- 694.64675 283.9
[M+Na-2H]- 656.60757 272.0
[M]+ 635.63235 284.1
[M]- 635.63345 284.1
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