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

658
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

literature stripe

Patent stripe

patents stripe