CID 125511586

4-{5h,6h,7h,8h-pyrido[4,3-c]pyridazin-3-yl}-1,4-oxazepane

Structural Information

Molecular Formula
C12H18N4O
SMILES
C1CN(CCOC1)C2=NN=C3CCNCC3=C2
InChI
InChI=1S/C12H18N4O/c1-4-16(5-7-17-6-1)12-8-10-9-13-3-2-11(10)14-15-12/h8,13H,1-7,9H2
InChIKey
INZABVVKIMZNRV-UHFFFAOYSA-N
Compound name
4-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-yl)-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.14806 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 158.1
[M+Na]+ 257.13728 168.3
[M+NH4]+ 252.18188 164.6
[M+K]+ 273.11122 163.6
[M-H]- 233.14078 160.7
[M+Na-2H]- 255.12273 162.8
[M]+ 234.14751 160.1
[M]- 234.14861 160.1
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.