CID 3020459

Qrz97d73ra

Structural Information

Molecular Formula
C42H83N3O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)44-37-39-45(38-36-43-40(3)46)42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,46)(H,44,47)
InChIKey
NNGDOQBAJNRFBB-UHFFFAOYSA-N
Compound name
N-[2-[2-acetamidoethyl(octadecanoyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.64343 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.65071 294.5
[M+Na]+ 700.63265 304.9
[M-H]- 676.63615 286.5
[M+NH4]+ 695.67725 298.3
[M+K]+ 716.60659 306.1
[M+H-H2O]+ 660.64069 293.2
[M+HCOO]- 722.64163 289.3
[M+CH3COO]- 736.65728 293.3
[M+Na-2H]- 698.61810 276.6
[M]+ 677.64288 288.5
[M]- 677.64398 288.5
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.