CID 334617

89990-60-3

Structural Information

Molecular Formula
C15H26N4O3
SMILES
C1CCN2C(=O)CN(CC(=O)N2C1)CCCN3CCOCC3
InChI
InChI=1S/C15H26N4O3/c20-14-12-17(5-3-4-16-8-10-22-11-9-16)13-15(21)19-7-2-1-6-18(14)19/h1-13H2
InChIKey
UQCWZXGFNGASCD-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-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

310.2005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20778 174.5
[M+Na]+ 333.18972 176.3
[M-H]- 309.19322 175.8
[M+NH4]+ 328.23432 181.8
[M+K]+ 349.16366 177.3
[M+H-H2O]+ 293.19776 161.8
[M+HCOO]- 355.19870 181.2
[M+CH3COO]- 369.21435 180.7
[M+Na-2H]- 331.17517 174.7
[M]+ 310.19995 165.0
[M]- 310.20105 165.0
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.