CID 24946913

Schembl6120073

Structural Information

Molecular Formula
C38H75NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39(35-36-40)38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-36H2,1-2H3
InChIKey
LEBSZTKWECCDBI-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-octadecanoyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

593.5747 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.58198 268.7
[M+Na]+ 616.56392 275.9
[M-H]- 592.56742 255.1
[M+NH4]+ 611.60852 270.4
[M+K]+ 632.53786 277.4
[M+H-H2O]+ 576.57196 268.3
[M+HCOO]- 638.57290 269.2
[M+CH3COO]- 652.58855 270.7
[M+Na-2H]- 614.54937 252.0
[M]+ 593.57415 266.7
[M]- 593.57525 266.7
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