CID 3068119

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

Structural Information

Molecular Formula
C18H36N6O3
SMILES
C1CCN=C(NC1)NCCOCCOCCOCCNC2=NCCCCN2
InChI
InChI=1S/C18H36N6O3/c1-2-6-20-17(19-5-1)23-9-11-25-13-15-27-16-14-26-12-10-24-18-21-7-3-4-8-22-18/h1-16H2,(H2,19,20,23)(H2,21,22,24)
InChIKey
JLDHQCHTQLGUQG-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethoxy]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

384.28488 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.29216 192.0
[M+Na]+ 407.27410 191.6
[M-H]- 383.27760 192.0
[M+NH4]+ 402.31870 195.1
[M+K]+ 423.24804 193.8
[M+H-H2O]+ 367.28214 177.9
[M+HCOO]- 429.28308 202.4
[M+CH3COO]- 443.29873 220.5
[M+Na-2H]- 405.25955 193.4
[M]+ 384.28433 183.9
[M]- 384.28543 183.9
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.