CID 3039783

Brn 1016982

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

CC1=C2C(=NN(C(=O)C2=NO1)CCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-11-13-14(12-7-5-4-6-8-12)17-20(10-9-19(2)3)16(21)15(13)18-22-11/h4-8H,9-10H2,1-3H3

InChIKey

RNEWTTBMCHTGJQ-UHFFFAOYSA-N

Compound name

6-[2-(dimethylamino)ethyl]-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.14297 Da
Monoisotopic Mass: 2.1
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]+	299.150246	170.0
[M+Na]+	321.132188	181.2
[M-H]-	297.135694	176.9
[M+NH4]+	316.176793	183.5
[M+K]+	337.106128	178.2
[M+H-H2O]+	281.140230	160.1
[M+HCOO]-	343.141171	192.7
[M+CH3COO]-	357.156821	182.6
[M+Na-2H]-	319.117636	175.4
[M]+	298.14242142	177.0
[M]-	298.14351858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.