CID 208853

Domoxin

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂

SMILES

C1C(OC2=CC=CC=C2O1)CN(CC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N2O2/c17-18(10-13-6-2-1-3-7-13)11-14-12-19-15-8-4-5-9-16(15)20-14/h1-9,14H,10-12,17H2

InChIKey

IXTXYSAWZICAPV-UHFFFAOYSA-N

Compound name

1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 270.13684 Da
Monoisotopic Mass: 2.5
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]+	271.144116	162.5
[M+Na]+	293.126058	167.1
[M-H]-	269.129564	171.2
[M+NH4]+	288.170663	176.3
[M+K]+	309.099998	166.4
[M+H-H2O]+	253.134100	153.6
[M+HCOO]-	315.135041	183.5
[M+CH3COO]-	329.150691	173.7
[M+Na-2H]-	291.111506	170.3
[M]+	270.13629142	161.4
[M]-	270.13738858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe