CID 122908

32582-85-7

Structural Information

Molecular Formula
C24H52N4O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C24H52N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h26-27H,2-23,25H2,1H3,(H,28,29)
InChIKey
CFAQSLLBQNAXNY-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

412.41412 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.42140 211.0
[M+Na]+ 435.40334 207.2
[M-H]- 411.40684 207.1
[M+NH4]+ 430.44794 238.6
[M+K]+ 451.37728 202.8
[M+H-H2O]+ 395.41138 201.1
[M+HCOO]- 457.41232 231.7
[M+CH3COO]- 471.42797 241.7
[M+Na-2H]- 433.38879 207.9
[M]+ 412.41357 214.7
[M]- 412.41467 214.7
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