CID 106671

66054-26-0

Structural Information

Molecular Formula
C22H48N2O
SMILES
CCCCCCCCCCCCCCCCOCCCNCCCN
InChI
InChI=1S/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-25-22-17-20-24-19-16-18-23/h24H,2-23H2,1H3
InChIKey
JKVCENSTXGEMCE-UHFFFAOYSA-N
Compound name
N'-(3-hexadecoxypropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.37668 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.38396 198.9
[M+Na]+ 379.36590 203.8
[M+NH4]+ 374.41050 203.8
[M+K]+ 395.33984 194.7
[M-H]- 355.36940 198.6
[M+Na-2H]- 377.35135 198.3
[M]+ 356.37613 199.0
[M]- 356.37723 199.0
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.