CID 334616

89990-59-0

Structural Information

Molecular Formula
C14H24N4O3
SMILES
C1CCN2C(=O)CN(CC(=O)N2C1)CCN3CCOCC3
InChI
InChI=1S/C14H24N4O3/c19-13-11-16(6-5-15-7-9-21-10-8-15)12-14(20)18-4-2-1-3-17(13)18/h1-12H2
InChIKey
WMVDECZBHQOIOC-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19212 170.3
[M+Na]+ 319.17406 172.6
[M-H]- 295.17756 171.9
[M+NH4]+ 314.21866 178.2
[M+K]+ 335.14800 173.9
[M+H-H2O]+ 279.18210 157.8
[M+HCOO]- 341.18304 177.4
[M+CH3COO]- 355.19869 177.0
[M+Na-2H]- 317.15951 171.1
[M]+ 296.18429 160.6
[M]- 296.18539 160.6
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.