CID 3068117

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

Structural Information

Molecular Formula
C16H32N6O2
SMILES
C1CCN=C(NC1)NCCOCCOCCNC2=NCCCCN2
InChI
InChI=1S/C16H32N6O2/c1-2-6-18-15(17-5-1)21-9-11-23-13-14-24-12-10-22-16-19-7-3-4-8-20-16/h1-14H2,(H2,17,18,21)(H2,19,20,22)
InChIKey
BPOFYUOKQPTDCS-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethoxy]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

340.25867 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.26595 183.8
[M+Na]+ 363.24789 184.2
[M-H]- 339.25139 184.1
[M+NH4]+ 358.29249 188.4
[M+K]+ 379.22183 186.0
[M+H-H2O]+ 323.25593 170.1
[M+HCOO]- 385.25687 194.6
[M+CH3COO]- 399.27252 214.3
[M+Na-2H]- 361.23334 185.8
[M]+ 340.25812 174.1
[M]- 340.25922 174.1
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.