CID 44150879

85187-59-3

Structural Information

Molecular Formula
C38H75N3O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C
InChI
InChI=1S/C38H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(43)39-32-34-41(36(3)42)35-33-40-38(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,39,43)(H,40,44)
InChIKey
XWMRAHYRLADCRD-UHFFFAOYSA-N
Compound name
N-[2-[acetyl-[2-(hexadecanoylamino)ethyl]amino]ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.5809 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.58818 281.7
[M+Na]+ 644.57012 292.8
[M-H]- 620.57362 275.2
[M+NH4]+ 639.61472 285.6
[M+K]+ 660.54406 292.3
[M+H-H2O]+ 604.57816 280.9
[M+HCOO]- 666.57910 278.1
[M+CH3COO]- 680.59475 282.5
[M+Na-2H]- 642.55557 265.5
[M]+ 621.58035 275.8
[M]- 621.58145 275.8
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.