CID 114310

4,8,11,15-tetraazaoctadecane-1,18-diamine

Structural Information

Molecular Formula
C14H36N6
SMILES
C(CN)CNCCCNCCNCCCNCCCN
InChI
InChI=1S/C14H36N6/c15-5-1-7-17-9-3-11-19-13-14-20-12-4-10-18-8-2-6-16/h17-20H,1-16H2
InChIKey
POXLCEVCOYIZNU-UHFFFAOYSA-N
Compound name
N'-[3-[2-[3-(3-aminopropylamino)propylamino]ethylamino]propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

288.30014 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.30742 165.8
[M+Na]+ 311.28936 164.6
[M-H]- 287.29286 163.3
[M+NH4]+ 306.33396 178.8
[M+K]+ 327.26330 162.2
[M+H-H2O]+ 271.29740 156.7
[M+HCOO]- 333.29834 191.6
[M+CH3COO]- 347.31399 220.8
[M+Na-2H]- 309.27481 168.9
[M]+ 288.29959 163.3
[M]- 288.30069 163.3
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