CID 333696

69405-21-6

Structural Information

Molecular Formula
C12H20N4O3
SMILES
C1CCN2C(=O)CN(CC(=O)N2C1)N3CCOCC3
InChI
InChI=1S/C12H20N4O3/c17-11-9-14(13-5-7-19-8-6-13)10-12(18)16-4-2-1-3-15(11)16/h1-10H2
InChIKey
KYMZXHCZOPXPEA-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-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

268.15353 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 162.1
[M+Na]+ 291.14275 165.2
[M-H]- 267.14625 164.0
[M+NH4]+ 286.18735 171.1
[M+K]+ 307.11669 166.9
[M+H-H2O]+ 251.15079 150.0
[M+HCOO]- 313.15173 169.8
[M+CH3COO]- 327.16738 169.6
[M+Na-2H]- 289.12820 163.8
[M]+ 268.15298 151.8
[M]- 268.15408 151.8
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.