CID 3068113

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

Structural Information

Molecular Formula
C16H32N6
SMILES
C1CCN=C(NC1)NCCCCCCNC2=NCCCCN2
InChI
InChI=1S/C16H32N6/c1(3-9-17-15-19-11-5-6-12-20-15)2-4-10-18-16-21-13-7-8-14-22-16/h1-14H2,(H2,17,19,20)(H2,18,21,22)
InChIKey
GBPVANCSGSTCKC-UHFFFAOYSA-N
Compound name
N,N'-bis(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.26886 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.27614 179.6
[M+Na]+ 331.25808 180.5
[M-H]- 307.26158 179.9
[M+NH4]+ 326.30268 185.4
[M+K]+ 347.23202 180.8
[M+H-H2O]+ 291.26612 166.4
[M+HCOO]- 353.26706 190.2
[M+CH3COO]- 367.28271 183.8
[M+Na-2H]- 329.24353 181.5
[M]+ 308.26831 167.9
[M]- 308.26941 167.9
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.