CID 334615

89990-58-9

Structural Information

Molecular Formula
C15H28N4O2
SMILES
CCN(CC)CCCN1CC(=O)N2CCCCN2C(=O)C1
InChI
InChI=1S/C15H28N4O2/c1-3-16(4-2)8-7-9-17-12-14(20)18-10-5-6-11-19(18)15(21)13-17/h3-13H2,1-2H3
InChIKey
GHCJCMPOUJQGRM-UHFFFAOYSA-N
Compound name
3-[3-(diethylamino)propyl]-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

296.22122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.22850 169.3
[M+Na]+ 319.21044 172.0
[M-H]- 295.21394 170.6
[M+NH4]+ 314.25504 181.1
[M+K]+ 335.18438 174.0
[M+H-H2O]+ 279.21848 158.9
[M+HCOO]- 341.21942 182.6
[M+CH3COO]- 355.23507 211.1
[M+Na-2H]- 317.19589 170.2
[M]+ 296.22067 164.7
[M]- 296.22177 164.7
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.