CID 109722

N-(3-(tetradecyloxy)propyl)-1,3-propanediamine

Structural Information

Molecular Formula
C20H44N2O
SMILES
CCCCCCCCCCCCCCOCCCNCCCN
InChI
InChI=1S/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21/h22H,2-21H2,1H3
InChIKey
MUCWVNRLUFHAFJ-UHFFFAOYSA-N
Compound name
N'-(3-tetradecoxypropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

328.34537 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.35265 190.2
[M+Na]+ 351.33459 195.5
[M+NH4]+ 346.37919 195.4
[M+K]+ 367.30853 186.8
[M-H]- 327.33809 190.0
[M+Na-2H]- 349.32004 190.1
[M]+ 328.34482 190.4
[M]- 328.34592 190.4
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

patents stripe