CID 6410490

Brn 1008416

Structural Information

Molecular Formula

C₁₅H₁₈N₄O

SMILES

CN(C)CCCN1C2=C(N=NC=C2)OC3=CC=CC=C31

InChI

InChI=1S/C15H18N4O/c1-18(2)10-5-11-19-12-6-3-4-7-14(12)20-15-13(19)8-9-16-17-15/h3-4,6-9H,5,10-11H2,1-2H3

InChIKey

CZFRJZFILCBDGC-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-pyridazino[3,4-b][1,4]benzoxazin-5-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.14807 Da
Monoisotopic Mass: 1.9
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]+	271.155346	164.1
[M+Na]+	293.137288	171.9
[M-H]-	269.140794	166.8
[M+NH4]+	288.181893	177.3
[M+K]+	309.111228	169.2
[M+H-H2O]+	253.145330	153.6
[M+HCOO]-	315.146271	181.4
[M+CH3COO]-	329.161921	174.8
[M+Na-2H]-	291.122736	173.1
[M]+	270.14752142	166.8
[M]-	270.14861858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.