CID 3068115

N,n'-(oxydi-2,1-ethanediyl)bis(4,5,6,7-tetrahydro-1h-1,3-diazepin-2-amine) dihydriodide

Structural Information

Molecular Formula
C14H28N6O
SMILES
C1CCN=C(NC1)NCCOCCNC2=NCCCCN2
InChI
InChI=1S/C14H28N6O/c1-2-6-16-13(15-5-1)19-9-11-21-12-10-20-14-17-7-3-4-8-18-14/h1-12H2,(H2,15,16,19)(H2,17,18,20)
InChIKey
HTHPTFMTKOOORX-UHFFFAOYSA-N
Compound name
N-[2-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethoxy]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.23245 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23973 175.2
[M+Na]+ 319.22167 176.6
[M-H]- 295.22517 175.8
[M+NH4]+ 314.26627 181.3
[M+K]+ 335.19561 177.9
[M+H-H2O]+ 279.22971 162.1
[M+HCOO]- 341.23065 186.4
[M+CH3COO]- 355.24630 180.0
[M+Na-2H]- 317.20712 177.9
[M]+ 296.23190 164.0
[M]- 296.23300 164.0
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.