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]+ 253.21352 168.1
[M+Na]+ 275.19546 171.4
[M+NH4]+ 270.24006 171.4
[M+K]+ 291.16940 169.4
[M-H]- 251.19896 168.4
[M+Na-2H]- 273.18091 171.1
[M]+ 252.20569 168.2
[M]- 252.20679 168.2
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.