CID 76963023

Arachidyl behenylamide

Structural Information

Molecular Formula
C42H85NO
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H85NO/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42(44)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3,(H,43,44)
InChIKey
KGRCFOJNNSTSIT-UHFFFAOYSA-N
Compound name
N-icosyldocosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

619.6631 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.67038 283.5
[M+Na]+ 642.65232 289.2
[M-H]- 618.65582 263.0
[M+NH4]+ 637.69692 279.9
[M+K]+ 658.62626 292.0
[M+H-H2O]+ 602.66036 280.9
[M+HCOO]- 664.66130 286.0
[M+CH3COO]- 678.67695 278.5
[M+Na-2H]- 640.63777 263.8
[M]+ 619.66255 281.2
[M]- 619.66365 281.2
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