CID 60702

Diethylhomospermine

Structural Information

Molecular Formula
C16H38N4
SMILES
CCNCCCCNCCCCNCCCCNCC
InChI
InChI=1S/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3
InChIKey
QXOCYGPVDXDFLC-UHFFFAOYSA-N
Compound name
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

30
References

641
Patents

286.30966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.31694 174.6
[M+Na]+ 309.29888 174.1
[M-H]- 285.30238 172.7
[M+NH4]+ 304.34348 189.1
[M+K]+ 325.27282 171.4
[M+H-H2O]+ 269.30692 166.1
[M+HCOO]- 331.30786 199.0
[M+CH3COO]- 345.32351 217.3
[M+Na-2H]- 307.28433 177.6
[M]+ 286.30911 176.4
[M]- 286.31021 176.4
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

No patent data available for this compound.