CID 3068111

N,n'-bis(4,5,6,7-tetrahydro-1h-1,3-diazepin-2-yl)-1,4-butanediamine dihydriodide

Structural Information

Molecular Formula
C14H28N6
SMILES
C1CCN=C(NC1)NCCCCNC2=NCCCCN2
InChI
InChI=1S/C14H28N6/c1-2-8-16-13(15-7-1)19-11-5-6-12-20-14-17-9-3-4-10-18-14/h1-12H2,(H2,15,16,19)(H2,17,18,20)
InChIKey
IHANGKNKGYKBAQ-UHFFFAOYSA-N
Compound name
N,N'-bis(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.23755 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.24483 173.1
[M+Na]+ 303.22677 174.6
[M-H]- 279.23027 173.6
[M+NH4]+ 298.27137 179.7
[M+K]+ 319.20071 175.2
[M+H-H2O]+ 263.23481 160.1
[M+HCOO]- 325.23575 184.1
[M+CH3COO]- 339.25140 177.9
[M+Na-2H]- 301.21222 175.7
[M]+ 280.23700 160.7
[M]- 280.23810 160.7
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.