CID 84859

1,3-propanediamine, n-docosyl-

Structural Information

Molecular Formula
C25H54N2
SMILES
CCCCCCCCCCCCCCCCCCCCCCNCCCN
InChI
InChI=1S/C25H54N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26/h27H,2-26H2,1H3
InChIKey
BIWCZXIHIQDFSM-UHFFFAOYSA-N
Compound name
N'-docosylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

382.4287 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.43598 209.5
[M+Na]+ 405.41792 207.0
[M-H]- 381.42142 205.4
[M+NH4]+ 400.46252 220.6
[M+K]+ 421.39186 201.5
[M+H-H2O]+ 365.42596 200.5
[M+HCOO]- 427.42690 228.3
[M+CH3COO]- 441.44255 233.4
[M+Na-2H]- 403.40337 206.1
[M]+ 382.42815 215.3
[M]- 382.42925 215.3
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