CID 52317084

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane dihydrochloride

Structural Information

Molecular Formula
C10H18N4O
SMILES
CCC1=NC(=NO1)CN2CCCNCC2
InChI
InChI=1S/C10H18N4O/c1-2-10-12-9(13-15-10)8-14-6-3-4-11-5-7-14/h11H,2-8H2,1H3
InChIKey
PTFRHAMKQKTEMK-UHFFFAOYSA-N
Compound name
3-(1,4-diazepan-1-ylmethyl)-5-ethyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.15534 150.3
[M+Na]+ 233.13728 159.0
[M+NH4]+ 228.18188 155.9
[M+K]+ 249.11122 157.1
[M-H]- 209.14078 151.4
[M+Na-2H]- 231.12273 154.4
[M]+ 210.14751 151.6
[M]- 210.14861 151.6
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.