CID 6410488

Brn 1090518

Structural Information

Molecular Formula

C₁₆H₂₀N₆O

SMILES

CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)N)C

InChI

InChI=1S/C16H20N6O/c1-20-5-7-22(8-6-20)15-10-13-16(19-18-15)23-14-9-11(17)3-4-12(14)21(13)2/h3-4,9-10H,5-8,17H2,1-2H3

InChIKey

NGKLMHJPBKDIFN-UHFFFAOYSA-N

Compound name

5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.16986 Da
Monoisotopic Mass: 1.1
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]+	313.177136	181.6
[M+Na]+	335.159078	190.1
[M-H]-	311.162584	183.0
[M+NH4]+	330.203683	189.4
[M+K]+	351.133018	184.3
[M+H-H2O]+	295.167120	169.1
[M+HCOO]-	357.168061	191.5
[M+CH3COO]-	371.183711	189.5
[M+Na-2H]-	333.144526	186.1
[M]+	312.16931142	177.8
[M]-	312.17040858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.