CID 83524

13483-58-4

Structural Information

Molecular Formula
C43H87N3O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C43H87N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(47)44-38-34-40-46(3)41-35-39-45-43(48)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3,(H,44,47)(H,45,48)
InChIKey
MYCSIFBJZVHBGE-UHFFFAOYSA-N
Compound name
N-[3-[methyl-[3-(octadecanoylamino)propyl]amino]propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

677.6798 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.68708 300.7
[M+Na]+ 700.66902 310.3
[M-H]- 676.67252 289.4
[M+NH4]+ 695.71362 301.8
[M+K]+ 716.64296 311.9
[M+H-H2O]+ 660.67706 298.5
[M+HCOO]- 722.67800 296.6
[M+CH3COO]- 736.69365 295.0
[M+Na-2H]- 698.65447 281.4
[M]+ 677.67925 294.6
[M]- 677.68035 294.6
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