CID 13827655

7445-68-3

Structural Information

Molecular Formula
C46H92N2O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H92N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45(49)47-43-44-48-46(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3,(H,47,49)(H,48,50)
InChIKey
WNCFYFLYHFIWIL-UHFFFAOYSA-N
Compound name
N-[2-(docosanoylamino)ethyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1376
Patents

704.7159 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.72318 302.8
[M+Na]+ 727.70512 309.4
[M-H]- 703.70862 286.1
[M+NH4]+ 722.74972 300.8
[M+K]+ 743.67906 312.7
[M+H-H2O]+ 687.71316 299.5
[M+HCOO]- 749.71410 300.3
[M+CH3COO]- 763.72975 295.2
[M+Na-2H]- 725.69057 281.5
[M]+ 704.71535 297.7
[M]- 704.71645 297.7
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

patents stripe