CID 66954

N,n'-methylenedistearamide

Structural Information

Molecular Formula
C37H74N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C37H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(40)38-35-39-37(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,38,40)(H,39,41)
InChIKey
FTQWRYSLUYAIRQ-UHFFFAOYSA-N
Compound name
N-[(octadecanoylamino)methyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

23978
Patents

578.575 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.58228 273.8
[M+Na]+ 601.56422 281.9
[M-H]- 577.56772 260.5
[M+NH4]+ 596.60882 272.0
[M+K]+ 617.53816 281.6
[M+H-H2O]+ 561.57226 271.4
[M+HCOO]- 623.57320 274.6
[M+CH3COO]- 637.58885 270.6
[M+Na-2H]- 599.54967 256.1
[M]+ 578.57445 269.0
[M]- 578.57555 269.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe