CID 3068121

N,n'-bis(4,5,6,7-tetrahydro-1h-1,3-diazepin-2-yl)-1,8-octanediamine dihydriodide

Structural Information

Molecular Formula
C18H36N6
SMILES
C1CCN=C(NC1)NCCCCCCCCNC2=NCCCCN2
InChI
InChI=1S/C18H36N6/c1(3-5-11-19-17-21-13-7-8-14-22-17)2-4-6-12-20-18-23-15-9-10-16-24-18/h1-16H2,(H2,19,21,22)(H2,20,23,24)
InChIKey
SYHZUJQKMLUPPL-UHFFFAOYSA-N
Compound name
N,N'-bis(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)octane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.30014 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.30742 186.2
[M+Na]+ 359.28936 186.3
[M-H]- 335.29286 186.2
[M+NH4]+ 354.33396 191.1
[M+K]+ 375.26330 186.3
[M+H-H2O]+ 319.29740 172.6
[M+HCOO]- 381.29834 196.2
[M+CH3COO]- 395.31399 215.6
[M+Na-2H]- 357.27481 187.3
[M]+ 336.29959 174.9
[M]- 336.30069 174.9
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.