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 166.4
[M+Na]+ 275.19546 168.6
[M-H]- 251.19896 167.2
[M+NH4]+ 270.24006 174.0
[M+K]+ 291.16940 169.6
[M+H-H2O]+ 235.20350 153.8
[M+HCOO]- 297.20444 178.0
[M+CH3COO]- 311.22009 171.9
[M+Na-2H]- 273.18091 169.8
[M]+ 252.20569 153.6
[M]- 252.20679 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.