CID 3068109

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

Structural Information

Molecular Formula
C12H24N6
SMILES
C1CCN=C(NC1)NCCNC2=NCCCCN2
InChI
InChI=1S/C12H24N6/c1-2-6-14-11(13-5-1)17-9-10-18-12-15-7-3-4-8-16-12/h1-10H2,(H2,13,14,17)(H2,15,16,18)
InChIKey
FMAFVYNVQLMPBJ-UHFFFAOYSA-N
Compound name
N,N'-bis(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20624 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.213516 166.4
[M+Na]+ 275.195458 168.6
[M-H]- 251.198964 167.2
[M+NH4]+ 270.240063 174.0
[M+K]+ 291.169398 169.6
[M+H-H2O]+ 235.203500 153.8
[M+HCOO]- 297.204441 178.0
[M+CH3COO]- 311.220091 171.9
[M+Na-2H]- 273.180906 169.8
[M]+ 252.20569142 153.6
[M]- 252.20678858 153.6
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.