CID 21118054

67846-08-6

Structural Information

Molecular Formula
C25H52N4O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CCNC(=O)N
InChI
InChI=1S/C25H52N4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(30)27-20-22-29(4-2)23-21-28-25(26)31/h3-23H2,1-2H3,(H,27,30)(H3,26,28,31)
InChIKey
ZRTSISSYGLIFJS-UHFFFAOYSA-N
Compound name
N-[2-[2-(carbamoylamino)ethyl-ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.40903 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.41631 221.6
[M+Na]+ 463.39825 217.7
[M-H]- 439.40175 240.8
[M+NH4]+ 458.44285 243.2
[M+K]+ 479.37219 214.9
[M+H-H2O]+ 423.40629 211.3
[M+HCOO]- 485.40723 243.6
[M+CH3COO]- 499.42288 249.1
[M+Na-2H]- 461.38370 215.8
[M]+ 440.40848 235.1
[M]- 440.40958 235.1
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.