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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.192116	170.3
[M+Na]+	319.174058	172.6
[M-H]-	295.177564	171.9
[M+NH4]+	314.218663	178.2
[M+K]+	335.147998	173.9
[M+H-H2O]+	279.182100	157.8
[M+HCOO]-	341.183041	177.4
[M+CH3COO]-	355.198691	177.0
[M+Na-2H]-	317.159506	171.1
[M]+	296.18429142	160.6
[M]-	296.18538858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.