CID 106671

1,3-propanediamine, n1-(3-(hexadecyloxy)propyl)-

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 199.5
[M+Na]+ 379.36590 198.2
[M-H]- 355.36940 196.0
[M+NH4]+ 374.41050 211.7
[M+K]+ 395.33984 193.9
[M+H-H2O]+ 339.37394 190.9
[M+HCOO]- 401.37488 219.6
[M+CH3COO]- 415.39053 226.4
[M+Na-2H]- 377.35135 197.7
[M]+ 356.37613 205.7
[M]- 356.37723 205.7
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

No patent data available for this compound.