CID 116799

70682-70-1

Structural Information

Molecular Formula
C51H100N4O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C51H100N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-50(56)53-45-48-55(47-41-44-52)49-46-54-51(57)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43,45-49H2,1-2H3,(H,53,56)(H,54,57)
InChIKey
CTJCAXHYNZCWLX-UHFFFAOYSA-N
Compound name
N-[2-[2-cyanoethyl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

800.7846 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.79188 319.2
[M+Na]+ 823.77382 327.4
[M+NH4]+ 818.81842 321.8
[M+K]+ 839.74776 326.3
[M-H]- 799.77732 308.6
[M+Na-2H]- 821.75927 316.0
[M]+ 800.78405 318.4
[M]- 800.78515 318.4
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.